REVEXEPRIDE


Synonyms	(-)-revexepride R-149402 R149402 Revexepride SPD-557 SPD557 Ssp-002358
Status
Molecule Category	UNKNOWN
UNII	8C63R2Y02M
EPA CompTox	DTXSID30176429


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	FOUUNSGQVBGYQM-SUMWQHHRSA-N
Smiles	COCCCN1CC[C@@H](CNC(=O)c2cc(Cl)c(N)c3c2OC(C)(C)C3)[C@H](O)C1
InChI	InChI=1S/C21H32ClN3O4/c1-21(2)10-15-18(23)16(22)9-14(19(15)29-21)20(27)24-11-13-5-7-25(12-17(13)26)6-4-8-28-3/h9,13,17,26H,4-8,10-12,23H2,1-3H3,(H,24,27)/t13-,17+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H32ClN3O4
Molecular Weight	425.96
AlogP	2.08
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	97.05
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	29.0

Bioactivity

Mechanism of Action	Action	Reference
Serotonin 4 (5-HT4) receptor agonist	AGONIST	PubMed


Protein: Serotonin 4 (5-HT4) receptor Description: 5-hydroxytryptamine receptor 4 Organism : Homo sapiens Q13639 ENSG00000164270

Cross References

Resources	Reference
ChEMBL	CHEMBL3545035
FDA SRS	8C63R2Y02M
PubChem	9823762
SureChEMBL	SCHEMBL505587
ZINC	ZINC000003916772

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).