Details of the Drug

General Information of Drug (ID: DM42XWO)

• Drug Name: US10053465, 8
• Synonyms: SCHEMBL2395720; CHEMBL3911726; RZUCZMLSGAQMJN-UHFFFAOYSA-N; BDBM246869; US10053465, 8; 4-{3-(Cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]azetidin-1-yl}-N- [4-fluoro-2- (trifluoromethyl) phenyl]piperidine-1- carboxamide; 4-{3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-N-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 567.5
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C27H25F4N9O
  IUPAC Name: 4-[3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
  Canonical SMILES: C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)NC6=C(C=C(C=C6)F)C(F)(F)F
  InChI: InChI=1S/C27H25F4N9O/c28-18-1-2-22(21(11-18)27(29,30)31)37-25(41)38-9-4-19(5-10-38)39-14-26(15-39,6-7-32)40-13-17(12-36-40)23-20-3-8-33-24(20)35-16-34-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,37,41)(H,33,34,35)
  InChIKey: RZUCZMLSGAQMJN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 58431300
  TTD ID: D0N8QO

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] Pyrrolopyrimidine derivatives as TAM inhibitors. US10053465.