Details of the Drug

General Information of Drug (ID: DMUW3MT)

• Drug Name: PMID23849879C3
• Synonyms: SMR000144080; MLS000537840; AC1LJ8QE; GTPL8488; cid_970375; BDBM32709; MolPort-002-093-912; HMS2464J20; HMS1593B09; ZINC609776; STK138150; AKOS001696771; MCULE-4952162555; SR-01000666149; SR-01000666149-2

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 279.3
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H13N5O
  IUPAC Name: (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone
  Canonical SMILES: CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)N
  InChI: InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
  InChIKey: BIEYFOHSWAIQDF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 970375
  ChEBI ID: CHEMBL1413622
  TTD ID: D00LOL
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kallikrein-14 (KLK14)	TTDA81R	KLK14_HUMAN	Inhibitor	[1]
Kallikrein-5 (KLK5)	TTULSEW	KLK5_HUMAN	Inhibitor	[1]
Kallikrein-7 (KLK7)	TTE6GTB	KLK7_HUMAN	Inhibitor	[1]
Suppressor of tumorigenicity 14 protein (ST14)	TTPRO7W	ST14_HUMAN	Inhibitor	[1]

References

• [1] 1,2,4-Triazole derivatives as transient inactivators of kallikreins involved in skin diseases. Bioorg Med Chem Lett. 2013 Aug 15;23(16):4547-51.