Details of the Drug

General Information of Drug (ID: DM2W0AD)

Drug Name
5-p-Tolyl-1H-[1,2,3]triazole
Synonyms
4-(p-Tolyl)-1H-1,2,3-triazole; 5301-96-2; 4-(p-Tolyl)-2H-1,2,3-triazole; 5-(4-methylphenyl)-1H-1,2,3-triazole; 1H-1,2,3-Triazole, 4-(4-methylphenyl)-; 4-(4-methylphenyl)-2H-triazole; 5-(p-Tolyl)-1H-1,2,3-triazole; 59066-81-8; v-Triazole, 4-p-tolyl-; AC1LC4W8; SCHEMBL20848; 1,2,3-triazole analogue, 3; CHEMBL193610; CTK1G1560; BDBM17447; DTXSID60344093; ZPCIKQLLQORQCV-UHFFFAOYSA-N; MolPort-023-332-536; 4-p-tolyl-1H-1,2,3-triazole; ZINC13671868; ANW-65599; AKOS015907809; FCH4165656; KS-0000101Z; SC-23256; AJ-64294; AK-90097
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 159.19
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H9N3
IUPAC Name
4-(4-methylphenyl)-2H-triazole
Canonical SMILES
CC1=CC=C(C=C1)C2=NNN=C2
InChI
InChI=1S/C9H9N3/c1-7-2-4-8(5-3-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
InChIKey
ZPCIKQLLQORQCV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
594397
ChEBI ID
CHEMBL193610
CAS Number
29385-43-1
TTD ID
D02ADV
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Methionine aminopeptidase 2 (METAP2) TTZL0OI MAP2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 4-Aryl-1,2,3-triazole: a novel template for a reversible methionine aminopeptidase 2 inhibitor, optimized to inhibit angiogenesis in vivo. J Med Chem. 2005 Sep 8;48(18):5644-7.