Details of the Drug

General Information of Drug (ID: DMEWXFK)

Drug Name
C 82
Synonyms N-(4-Chlorophenyl)-2H-triazol-4-amine; SCHEMBL15831502; C82
Indication
Disease Entry ICD 11 Status REF
Scleroderma 4A42 Phase 1/2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 194.62
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H7ClN4
IUPAC Name
N-(4-chlorophenyl)-2H-triazol-4-amine
Canonical SMILES
C1=CC(=CC=C1NC2=NNN=C2)Cl
InChI
InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKey
IUTZKZLVPUPHDA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
75202656
ChEBI ID
CHEMBL4443463
TTD ID
D0DA5M
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Beta-catenin (CTNNB1) TTRPKQG CTNB1_HUMAN Inhibitor [1]
CREB-binding protein (CREBBP) TTFRCTK CBP_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)