BMS-986205

Ligand id: 9707

Name: BMS-986205

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 41.99
Molecular weight 410.16
XLogP 7.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
Synonyms
BMS986205
Comments
BMS-986205 is a potent and selective indoleamine 2,3-dioxygenase 1 (IDO1) inhibitor, being investigated as an immuno-therapy for various malignancies. It is likely one of the structures claimed in patent US2016137652 [1]. Note however, that we show one stereoisomer here (Example 19 in the patent). Others are possible, and until the compound structure is fully disclosed in a peer reviewed article, this is a guess at the 'real' structure.
Database Links
GtoPdb PubChem SID 348353666
PubChem CID 121328278
Search Google for chemical match using the InChIKey KRTIYQIPSAGSBP-KLAILNCOSA-N
Search Google for chemicals with the same backbone KRTIYQIPSAGSBP
Search UniChem for chemical match using the InChIKey KRTIYQIPSAGSBP-KLAILNCOSA-N
Search UniChem for chemicals with the same backbone KRTIYQIPSAGSBP