Details of the Drug

General Information of Drug (ID: DMU3PAR)

• Drug Name: Imidazo[1,5-a]pyridine derivative 2
• Synonyms: PMID29473428-Compound-13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 282.4
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H22N2O
  IUPAC Name: (S)-2-bicyclo[2.2.1]heptanyl-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
  Canonical SMILES: C1CC1C2=C(C3=CN=CN3C=C2)[C@H](C4CC5CCC4C5)O
  InChI: InChI=1S/C18H22N2O/c21-18(15-8-11-1-2-13(15)7-11)17-14(12-3-4-12)5-6-20-10-19-9-16(17)20/h5-6,9-13,15,18,21H,1-4,7-8H2/t11?,13?,15?,18-/m0/s1
  InChIKey: AYNGHFYFVHELEJ-NNIVULJMSA-N
• Cross-matching ID:
  PubChem CID: 122609311
  TTD ID: D0RH9K

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.