PRX-08066

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Search structure


Synonyms	Prx-08066
Status
Molecule Category	Mixture
UNII	92E9B7675Y

Structure


InChI Key	IENZFHBNCRQMNP-UHFFFAOYSA-N
Smiles	N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F
InChI	InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H21ClFN5O4S
Molecular Weight	517.97
AlogP	4.43
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	64.84
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Serotonin 2b (5-HT2b) receptor antagonist	ANTAGONIST	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	3.5-270	-	3.4	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	3.4	-

Target Conservation


Protein: Serotonin 2b (5-HT2b) receptor Description: 5-hydroxytryptamine receptor 2B Organism : Homo sapiens P41595 ENSG00000135914

Cross References

Resources	Reference
ChEMBL	CHEMBL4297322
DrugBank	DB05607
FDA SRS	92E9B7675Y
PubChem	76972919
ChEMBL	CHEMBL513994
FDA SRS	82SK298EBU
PubChem	76972919
SureChEMBL	SCHEMBL1604039
ZINC	ZINC000040403513

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