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
• 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
TYRO3 tyrosine kinase receptor (TYRO3)	TTIEMFN	TYRO3_HUMAN	Inhibitor	[1]

References

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