Details of the Drug

General Information of Drug (ID: DMS3O9H)

• Drug Name: MSC2032964A
• Synonyms: CHEMBL3330170; MSC 2032964A; 1124381-43-6; N-[5-(cyclopropylamino)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridinecarboxamide; XUKGFHHTSUKORV-UHFFFAOYSA-N; MSC2032964A; SCHEMBL2788575; GTPL8076; MolPort-039-338-069; ZINC59102467; BDBM50023727; AKOS027470238; MRF-0000032; NCGC00479218-01; N-[5-(cyclopropylamino)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]nicotinamide

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); 362.31
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C16H13F3N6O
  IUPAC Name: N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
  Canonical SMILES: C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F
  InChI: InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)
  InChIKey: XUKGFHHTSUKORV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25214468
  TTD ID: D0F0XZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Apoptosis signal-regulating kinase 1 (MAP3K5)	TTOQCD8	M3K5_HUMAN	Inhibitor	[1]

References

• [1] Regulation of the severity of neuroinflammation and demyelination by TLR-ASK1-p38 pathway. EMBO Mol Med. 2010 Dec;2(12):504-15.