Details of the Drug

General Information of Drug (ID: DMXUVDH)

• Drug Name: PMID29473428-Compound-50
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 427.5
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C27H29N3O2
  IUPAC Name: [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone
  Canonical SMILES: CC1=C(C(N2C1=CN=C2)CC(C3CCN(CC3)C(=O)C4=CC=CC=C4)O)C5=CC=CC=C5
  InChI: InChI=1S/C27H29N3O2/c1-19-24-17-28-18-30(24)23(26(19)21-8-4-2-5-9-21)16-25(31)20-12-14-29(15-13-20)27(32)22-10-6-3-7-11-22/h2-11,17-18,20,23,25,31H,12-16H2,1H3
  InChIKey: AJSXKLLHMGVTFL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 130300332
  TTD ID: D03CTR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

References

• [1] A patent review of IDO1 inhibitors for cancer.Expert Opin Ther Pat. 2018 Apr;28(4):317-330.