LIXIVAPTAN

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Search structure


Synonyms	CRTX 080 CRTX-080 Lixar Lixivaptan VPA 985 VPA-985 Vpa-985 WAY-VPA-985
Status
Molecule Category	Free-form
UNII	8F5X4B082E
EPA CompTox	DTXSID00168472

Structure


InChI Key	PPHTXRNHTVLQED-UHFFFAOYSA-N
Smiles	Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1
InChI	InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C27H21ClFN3O2
Molecular Weight	473.94
AlogP	6.05
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	54.34
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	34.0

Pharmacology

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Vasopressin and oxytocin receptor	-	0.5-519	-	2.3-90	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	1-519	-	44-90	-
Rattus norvegicus	-	0.5-340	-	-	-

Target Conservation


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

Cross References

Resources	Reference
ChEMBL	CHEMBL49429
DrugBank	DB06666
FDA SRS	8F5X4B082E
Guide to Pharmacology	2238
PubChem	172997
SureChEMBL	SCHEMBL1649340
ZINC	ZINC000000600399

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