Benzamidine
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Identification
- Summary
Benzamidine is a drug used to treat painful and inflammatory conditions of the oral cavity, such as infections and gingivitis.
- Generic Name
- Benzamidine
- DrugBank Accession Number
- DB03127
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 121.1598
Monoisotopic: 121.076573298 - Chemical Formula
- C7H9N2
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Gingival disorders nec ••• ••• ••••• Treatment of Gingivitis ••• ••• ••••• Prevention of Infection ••• ••• ••••• Treatment of Inflammation of mouth ••• ••• ••••• Treatment of Inflammatory reaction ••• ••• ••••• - Contraindications & Blackbox Warnings
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UKallikrein-1 Not Available Humans UUrokinase-type plasminogen activator Not Available Humans UTrypsin-1 Not Available Humans UCasein kinase II subunit alpha Not Available Humans UKallikrein-6 Not Available Humans UTrypsin-2 Not Available Humans UTrypsin-3 Not Available Humans UCopper transport protein ATOX1 Not Available Humans UEnoyl-CoA delta isomerase 1, mitochondrial Not Available Humans UTrypsin Not Available Streptomyces griseus USuppressor of tumorigenicity 14 protein Not Available Humans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image HEXADAMIN %0.15+%0.12 ORAL SPREY, ÇÖZELTİ Benzamidine (0.12 %) + Chlorhexidine gluconate (0.15 %) Spray Oral EMKAR İLAÇ SAN. VE TİC. A.Ş. 2020-08-14 Not applicable Turkey
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Not Available
- Direct Parent
- Benzene and substituted derivatives
- Alternative Parents
- Carboximidamides / Carboxamidines / Organopnictogen compounds / Hydrocarbon derivatives / Organic cations
- Substituents
- Amidine / Aromatic homomonocyclic compound / Carboximidamide / Carboxylic acid amidine / Hydrocarbon derivative / Monocyclic benzene moiety / Organic cation / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KUE3ZY3J1F
- CAS number
- 618-39-3
- InChI Key
- PXXJHWLDUBFPOL-UHFFFAOYSA-O
- InChI
- InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
- IUPAC Name
- [amino(phenyl)methylidene]azanium
- SMILES
- NC(=[NH2+])C1=CC=CC=C1
References
- Synthesis Reference
Takayuki Hara, Toru Minoshima, Masayasu Tabe, "Benzamidine derivatives and process for production thereof." U.S. Patent US20050101675, issued May 12, 2005.
US20050101675- General References
- Not Available
- External Links
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Spray Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.57 mg/mL ALOGPS logP -0.8 ALOGPS logP 0.89 Chemaxon logS -1.6 ALOGPS pKa (Strongest Basic) 11.53 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 51.61 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 48.53 m3·mol-1 Chemaxon Polarizability 13.25 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.5678 Blood Brain Barrier + 0.8661 Caco-2 permeable - 0.6125 P-glycoprotein substrate Non-substrate 0.7427 P-glycoprotein inhibitor I Non-inhibitor 0.9915 P-glycoprotein inhibitor II Non-inhibitor 0.9871 Renal organic cation transporter Non-inhibitor 0.7423 CYP450 2C9 substrate Non-substrate 0.7926 CYP450 2D6 substrate Non-substrate 0.7624 CYP450 3A4 substrate Non-substrate 0.8497 CYP450 1A2 substrate Non-inhibitor 0.9705 CYP450 2C9 inhibitor Non-inhibitor 0.958 CYP450 2D6 inhibitor Non-inhibitor 0.9518 CYP450 2C19 inhibitor Non-inhibitor 0.9862 CYP450 3A4 inhibitor Non-inhibitor 0.9454 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9616 Ames test Non AMES toxic 0.8675 Carcinogenicity Non-carcinogens 0.7273 Biodegradation Not ready biodegradable 0.6826 Rat acute toxicity 2.5986 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9848 hERG inhibition (predictor II) Non-inhibitor 0.9628
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0uk9-6900000000-51b224990fd9b93b5b59 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 121.89549 predictedDeepCCS 1.0 (2019) [M+H]+ 124.71612 predictedDeepCCS 1.0 (2019) [M+Na]+ 133.15074 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsKallikrein-1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- Glandular kallikreins cleave Met-Lys and Arg-Ser bonds in kininogen to release Lys-bradykinin.
- Gene Name
- KLK1
- Uniprot ID
- P06870
- Uniprot Name
- Kallikrein-1
- Molecular Weight
- 28889.425 Da
References
- Sousa MO, Miranda TL, Costa EB, Bittar ER, Santoro MM, Figueiredo AF: Linear competitive inhibition of human tissue kallikrein by 4-aminobenzamidine and benzamidine and linear mixed inhibition by 4-nitroaniline and aniline. Braz J Med Biol Res. 2001 Jan;34(1):35-44. [Article]
2. DetailsUrokinase-type plasminogen activator
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- Specifically cleaves the zymogen plasminogen to form the active enzyme plasmin.
- Gene Name
- PLAU
- Uniprot ID
- P00749
- Uniprot Name
- Urokinase-type plasminogen activator
- Molecular Weight
- 48507.09 Da
References
3. DetailsTrypsin-1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- Has activity against the synthetic substrates Boc-Phe-Ser-Arg-Mec, Boc-Leu-Thr-Arg-Mec, Boc-Gln-Ala-Arg-Mec and Boc-Val-Pro-Arg-Mec. The single-chain form is more active than the two-chain form aga...
- Gene Name
- PRSS1
- Uniprot ID
- P07477
- Uniprot Name
- Trypsin-1
- Molecular Weight
- 26557.88 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
4. DetailsCasein kinase II subunit alpha
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein serine/threonine kinase activity
- Specific Function
- Catalytic subunit of a constitutively active serine/threonine-protein kinase complex that phosphorylates a large number of substrates containing acidic residues C-terminal to the phosphorylated ser...
- Gene Name
- CSNK2A1
- Uniprot ID
- P68400
- Uniprot Name
- Casein kinase II subunit alpha
- Molecular Weight
- 45143.25 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
5. DetailsKallikrein-6
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- Serine protease which exhibits a preference for Arg over Lys in the substrate P1 position and for Ser or Pro in the P2 position. Shows activity against amyloid precursor protein, myelin basic prote...
- Gene Name
- KLK6
- Uniprot ID
- Q92876
- Uniprot Name
- Kallikrein-6
- Molecular Weight
- 26855.525 Da
References
6. DetailsTrypsin-2
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- In the ileum, may be involved in defensin processing, including DEFA5.
- Gene Name
- PRSS2
- Uniprot ID
- P07478
- Uniprot Name
- Trypsin-2
- Molecular Weight
- 26487.55 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
7. DetailsTrypsin-3
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type peptidase activity
- Specific Function
- Digestive protease specialized for the degradation of trypsin inhibitors. In the ileum, may be involved in defensin processing, including DEFA5.
- Gene Name
- PRSS3
- Uniprot ID
- P35030
- Uniprot Name
- Trypsin-3
- Molecular Weight
- 32528.565 Da
References
8. DetailsCopper transport protein ATOX1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Metallochaperone activity
- Specific Function
- Binds and deliver cytosolic copper to the copper ATPase proteins. May be important in cellular antioxidant defense.
- Gene Name
- ATOX1
- Uniprot ID
- O00244
- Uniprot Name
- Copper transport protein ATOX1
- Molecular Weight
- 7401.575 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Intramolecular oxidoreductase activity
- Specific Function
- Able to isomerize both 3-cis and 3-trans double bonds into the 2-trans form in a range of enoyl-CoA species.
- Gene Name
- ECI1
- Uniprot ID
- P42126
- Uniprot Name
- Enoyl-CoA delta isomerase 1, mitochondrial
- Molecular Weight
- 32815.635 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
10. DetailsTrypsin
- Kind
- Protein
- Organism
- Streptomyces griseus
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- Not Available
- Gene Name
- sprT
- Uniprot ID
- P00775
- Uniprot Name
- Trypsin
- Molecular Weight
- 26776.13 Da
References
11. DetailsSuppressor of tumorigenicity 14 protein
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type peptidase activity
- Specific Function
- Degrades extracellular matrix. Proposed to play a role in breast cancer invasion and metastasis. Exhibits trypsin-like activity as defined by cleavage of synthetic substrates with Arg or Lys as the...
- Gene Name
- ST14
- Uniprot ID
- Q9Y5Y6
- Uniprot Name
- Suppressor of tumorigenicity 14 protein
- Molecular Weight
- 94769.01 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 08, 2021 11:32