BMS-986142

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Synonyms
Status
Molecule Category Free-form
UNII PJX9GH268R

Structure

InChI Key ZRYMMWAJAFUANM-INIZCTEOSA-N
Smiles Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H30F2N4O4
Molecular Weight 572.61
AlogP 4.4
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 123.11
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 42.0

Pharmacology

Mechanism of Action Action Reference
Tyrosine-protein kinase BTK inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 23-71 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 0.5-750 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.5-750 - - 10-40
Mus musculus
- 140 - - -

Target Conservation

Protein: Tyrosine-protein kinase BTK
Description: Tyrosine-protein kinase BTK
Organism : Homo sapiens
Q06187 ENSG00000010671

Cross References

Resources Reference
ChEMBL CHEMBL3900554
DrugBank DB15291
FDA SRS PJX9GH268R
Guide to Pharmacology 9857
PDB 73T
PubChem 86582336
SureChEMBL SCHEMBL16319712
ZINC ZINC000222995022
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