VP-14637
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- VP-14637
- DrugBank Accession Number
- DB12195
- Background
MDT-637 has been investigated for the treatment of Drug Safety.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 510.518
Monoisotopic: 510.187634608 - Chemical Formula
- C25H22N10O3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Triphenyl compounds
- Sub Class
- Not Available
- Direct Parent
- Triphenyl compounds
- Alternative Parents
- 1-hydroxy-2-unsubstituted benzenoids / Benzene and substituted derivatives / Tetrazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Hydrocarbon derivatives
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / Aromatic heteromonocyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxygen compound / Organoheterocyclic compound
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- HCW4G0O030
- CAS number
- 235106-62-4
- InChI Key
- BLUJRJMLDHEMRX-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H22N10O3/c1-15-28-30-32-34(15)26-13-17-3-9-23(37)21(11-17)25(19-5-7-20(36)8-6-19)22-12-18(4-10-24(22)38)14-27-35-16(2)29-31-33-35/h3-14,25,36-38H,1-2H3
- IUPAC Name
- 2-[(2-hydroxy-5-{[(5-methyl-1H-1,2,3,4-tetrazol-1-yl)imino]methyl}phenyl)(4-hydroxyphenyl)methyl]-4-{[(5-methyl-1H-1,2,3,4-tetrazol-1-yl)imino]methyl}phenol
- SMILES
- CC1=NN=NN1N=CC1=CC=C(O)C(=C1)C(C1=CC=C(O)C=C1)C1=CC(C=NN2N=NN=C2C)=CC=C1O
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0649 mg/mL ALOGPS logP 3.32 ALOGPS logP 2.27 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 8.83 Chemaxon pKa (Strongest Basic) -0.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 172.61 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 166.62 m3·mol-1 Chemaxon Polarizability 51.59 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 195.47488 predictedDeepCCS 1.0 (2019) [M+H]+ 197.87044 predictedDeepCCS 1.0 (2019) [M+Na]+ 203.78297 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:35 / Updated at June 12, 2020 16:53