Details of the Drug

General Information of Drug (ID: DMV7BF2)

• Drug Name: US10053465, 5
• Synonyms: SCHEMBL12780151; BDBM246866; US10053465, 5; 4-[(4-{3-cyano-2-[4- (7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]propyl}piperazin- 1-yl)carbonyl]-3- fluorobenzonitrile
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 483.5
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C25H22FN9O
  IUPAC Name: 4-[4-(2-fluoro-4-isocyanobenzoyl)piperazin-1-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]butanenitrile
  Canonical SMILES: [C-]#[N+]C1=CC(=C(C=C1)C(=O)N2CCN(CC2)CC(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)F
  InChI: InChI=1S/C25H22FN9O/c1-28-18-2-3-20(22(26)12-18)25(36)34-10-8-33(9-11-34)15-19(4-6-27)35-14-17(13-32-35)23-21-5-7-29-24(21)31-16-30-23/h2-3,5,7,12-14,16,19H,4,8-11,15H2,(H,29,30,31)
  InChIKey: VCJFOLMEZCAWFO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 58180930
  TTD ID: D0ZY9S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TYRO3 tyrosine kinase receptor (TYRO3)	TTIEMFN	TYRO3_HUMAN	Inhibitor	[1]

References

• [1] Fused bicyclic 1,2,4-triazine compounds as TAM inhibitors. US9708333.