Details of the Drug

General Information of Drug (ID: DMPM8VB)

• Drug Name: US10053465, 12
• Synonyms: SCHEMBL9894097; SCHEMBL9927070; SCHEMBL9894098; BDBM246873; US10053465, 12; {trans-3-(4-{[4- {[(2S)-2- (hydroxymethyl) pyrrolidin-1-yl] methyl}-6- (trifluoromethyl) pyridin-2- yl]oxy}piperidin-1- yl)-1-[4-(7H- pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]cyclobutyl} acetonitrile
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 635.7
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C32H36F3N9O2
  IUPAC Name: 2-[3-[4-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]cyclobutyl]acetonitrile
  Canonical SMILES: C1C[C@H](N(C1)CC2=CC(=NC(=C2)OC3CCN(CC3)C4CC(C4)(CC#N)N5C=C(C=N5)C6=C7C=CNC7=NC=N6)C(F)(F)F)CO
  InChI: InChI=1S/C32H36F3N9O2/c33-32(34,35)27-12-21(17-43-9-1-2-23(43)19-45)13-28(41-27)46-25-4-10-42(11-5-25)24-14-31(15-24,6-7-36)44-18-22(16-40-44)29-26-3-8-37-30(26)39-20-38-29/h3,8,12-13,16,18,20,23-25,45H,1-2,4-6,9-11,14-15,17,19H2,(H,37,38,39)/t23-,24?,31?/m0/s1
  InChIKey: WQXUGBZSZWSUTM-VVTYCJQISA-N
• Cross-matching ID:
  PubChem CID: 67954458
  TTD ID: D0X7WG

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.