BMS-986142   

GtoPdb Ligand ID: 9857

Synonyms: BMS986142 | compound 14f [PMID: 27583770]
Compound class: Synthetic organic
Comment: BMS-986142 is a potent, highly selective and reversible small molecule BTK inhibitor [2-3], that is being investigated for anti-inflammatory potential [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 122.59
Molecular weight 572.22
XLogP 6.77
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Fc1cc(C(=O)N)c2c(c1c1cccc(c1C)n1c(=O)c3cccc(c3n(c1=O)C)F)c1CCC(Cc1[nH]2)C(O)(C)C
Isomeric SMILES Fc1cc(C(=O)N)c2c(c1c1cccc(c1C)n1c(=O)c3cccc(c3n(c1=O)C)F)c1CC[C@@H](Cc1[nH]2)C(O)(C)C
InChI InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1
InChI Key ZRYMMWAJAFUANM-INIZCTEOSA-N
No information available.
Summary of Clinical Use
Efficacy of BMS-986142 will be evaluated in rheumatoid arthritis patients in Phase 2 clinical study NCT02638948. A Phase 2 proof of concept study in Sjögren's syndrome (NCT02843659) was terminated early due to an inability to meet protocol objectives.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT02638948 Efficacy and Safety Study of BMS-986142 in Patients With Moderate to Severe Rheumatoid Arthritis Phase 2 Interventional Bristol-Myers Squibb
NCT02843659 Proof of Concept Study to Evaluate the Efficacy and Safety of BMS-931699 (Lulizumab) or BMS-986142 in Primary Sjögren's Syndrome Phase 2 Interventional Bristol-Myers Squibb