REPINOTAN

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Search structure


Synonyms	Repinotan
Status
Molecule Category	Free-form
UNII	05PB82Z52L
EPA CompTox	DTXSID80162857

Structure


InChI Key	YGYBFMRFXNDIPO-QGZVFWFLSA-N
Smiles	O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2ccccc2O1
InChI	InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H24N2O4S
Molecular Weight	400.5
AlogP	2.59
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	75.71
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	28.0

Pharmacology

Mechanism of Action	Action	Reference
Serotonin 1a (5-HT1a) receptor agonist	AGONIST	PubMed

Target Conservation


Protein: Serotonin 1a (5-HT1a) receptor Description: 5-hydroxytryptamine receptor 1A Organism : Homo sapiens P08908 ENSG00000178394

Cross References

Resources	Reference
ChEMBL	CHEMBL1614652
DrugBank	DB06506
FDA SRS	05PB82Z52L
Guide to Pharmacology	95
PubChem	198757
SureChEMBL	SCHEMBL678644
ZINC	ZINC000001552489

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