BMS-986158

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Search structure


Synonyms	Bet inhibitor bms-986158 Bms-986158
Status
Molecule Category	Free-form
UNII	X8BW0MQ5PI

Structure


InChI Key	KGERZPVQIRYWRK-GDLZYMKVSA-N
Smiles	Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
InChI	InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C30H33N5O2
Molecular Weight	495.63
AlogP	5.54
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	77.99
Molecular species	NEUTRAL
Aromatic Rings	5.0
Heavy Atoms	37.0

Pharmacology

Mechanism of Action	Action	Reference
Bromodomain and extra-terminal motif (BET) inhibitor	INHIBITOR	Other

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Epigenetic regulator Reader Bromodomain	-	0.8-1.4	-	-	-
Transcription factor	-	0.7	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.23-441	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL4297458
DrugBank	DB15435
FDA SRS	X8BW0MQ5PI
PubChem	118196485
SureChEMBL	SCHEMBL16861831

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025