ASAPIPRANT

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Search structure


Synonyms	Asapiprant S-555739
Status
Molecule Category	Free-form
UNII	B2LW71CRGL

Structure


InChI Key	ZMZNWNTZRWXTJU-UHFFFAOYSA-N
Smiles	CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ncco4)c(OCC(=O)O)c3)CC2)cc1
InChI	InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H27N3O7S
Molecular Weight	501.56
AlogP	3.1
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	122.41
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	35.0

Pharmacology

Mechanism of Action	Action	Reference
Prostanoid DP receptor antagonist	ANTAGONIST	PubMed

Target Conservation


Protein: Prostanoid DP receptor Description: Prostaglandin D2 receptor Organism : Homo sapiens Q13258 ENSG00000168229

Cross References

Resources	Reference
ChEMBL	CHEMBL3545043
FDA SRS	B2LW71CRGL
PubChem	59232326
SureChEMBL	SCHEMBL1106973

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