General Information of Drug (ID: DMFIP0D)

Drug Name
Imidazo[1,5-a]pyridine derivative 1
Synonyms PMID29473428-Compound-12
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 264.75
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H17ClN2O
IUPAC Name
(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol
Canonical SMILES
C1CCC(CC1)[C@@H](C2=CC(=CC3=CN=CN23)Cl)O
InChI
InChI=1S/C14H17ClN2O/c15-11-6-12-8-16-9-17(12)13(7-11)14(18)10-4-2-1-3-5-10/h6-10,14,18H,1-5H2/t14-/m0/s1
InChIKey
AVJCRIIDMDBAQC-AWEZNQCLSA-N
Cross-matching ID
PubChem CID
122604981
TTD ID
D0ZV6F

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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