NAV

VP-14637

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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
Similar Structures
Weight
Average: 510.518
Monoisotopic: 510.187634608
Chemical Formula
C25H22N10O3
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
PubChem Compound
9806362
PubChem Substance
347828480
ChemSpider
34991013

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.0649 mg/mLALOGPS
logP3.32ALOGPS
logP2.27Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)8.83Chemaxon
pKa (Strongest Basic)-0.96Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area172.61 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity166.62 m3·mol-1Chemaxon
Polarizability51.59 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0000190000-f5c052fdfdb26fd7651f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1000590000-a7034345c189e3ae9f38
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01r6-0000910000-0d1f9f66c180ca2d2a6d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-2000900000-cb3902dcf4a92a88829e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01x3-0100900000-09f31e771d67744cad21
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pb9-0000900000-8f2eb5f19257f27621ea
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-195.47488
predicted
DeepCCS 1.0 (2019)
[M+H]+197.87044
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.78297
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:35 / Updated at June 12, 2020 16:53