BMS-223131

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Search structure


Synonyms	Bms-223131
Status
Molecule Category	Free-form
UNII	889F719S7K

Structure


InChI Key	QESHSZWKJULSAR-UHFFFAOYSA-N
Smiles	O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCO
InChI	InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H13ClF3NO3
Molecular Weight	383.75
AlogP	4.11
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	73.32
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	26.0

Pharmacology

Mechanism of Action	Action	Reference
Calcium-activated potassium channel subunit alpha-1 activator	ACTIVATOR	PubMed PubMed

Target Conservation


Protein: Calcium-activated potassium channel subunit alpha-1 Description: Calcium-activated potassium channel subunit alpha-1 Organism : Homo sapiens Q12791 ENSG00000156113

Cross References

Resources	Reference
ChEMBL	CHEMBL222460
FDA SRS	889F719S7K
PubChem	9951995
SureChEMBL	SCHEMBL3269828
ZINC	ZINC000000588785

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