BTRX-335140

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Search structure


Synonyms	Btrx-335140 CYM-53093
Status
Molecule Category	Free-form
UNII	XK5ILZ28KI

Structure


InChI Key	CQOJHAJWCDJEAT-UHFFFAOYSA-N
Smiles	CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1
InChI	InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H32FN5O2
Molecular Weight	453.56
AlogP	4.34
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	76.31
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	33.0

Pharmacology

Mechanism of Action	Action	Reference
Kappa opioid receptor antagonist	ANTAGONIST	Other PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	1	-	-	-
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor	-	0.8-110	-	1.5-450	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.8-110	-	1.5-450	-

Target Conservation


Protein: Kappa opioid receptor Description: Kappa-type opioid receptor Organism : Homo sapiens P41145 ENSG00000082556

Cross References

Resources	Reference
ChEMBL	CHEMBL4592045
FDA SRS	XK5ILZ28KI
Guide to Pharmacology	10452
PubChem	137434175
SureChEMBL	SCHEMBL20670520

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