SATAVAPTAN


Synonyms	Aquilda SR 121463 SR 121463A SR 121463B SR-121463 SR-121463A SR-121463B SR121463B SR121463F Satavaptan Satavaptan monophosphate Satavaptan phosphate Sr121463
Status
Molecule Category	UNKNOWN
UNII	AJS8S3P31H


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

Structure


InChI Key	CDSBFDCCJJDFCV-CKZSCMLPSA-N
Smiles	CCOc1ccc2c(c1)[C@]1(CC[C@H](CCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC
InChI	InChI=1S/C33H45N3O7S/c1-6-43-25-8-9-27-26(22-25)33(14-11-23(12-15-33)13-16-35-17-19-42-20-18-35)31(38)36(27)44(39,40)29-10-7-24(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-23H,6,11-20H2,1-5H3,(H,34,37)/t23-,33+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C33H45N3O7S
Molecular Weight	627.8
AlogP	4.51
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	114.48
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	44.0

Bioactivity

Mechanism of Action	Action	Reference
Vasopressin V2 receptor antagonist	ANTAGONIST	PubMed PubMed PubMed Wikipedia


Protein: Vasopressin V2 receptor Description: Vasopressin V2 receptor Organism : Homo sapiens P30518 ENSG00000126895

Cross References

Resources	Reference
ChEMBL	CHEMBL2107777
FDA SRS	AJS8S3P31H
Guide to Pharmacology	2199
PubChem	158348

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).