Compound Detail

CHEMBL420762

MOZAVAPTAN

💊 Approved Drug

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💊 Approved Drug

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL420762
Name	MOZAVAPTAN
Phase	Approved
Structure Type	MOL
InChI Key	WRNXUQJJCIZICJ-UHFFFAOYSA-N

Known Names

Mozavaptan Mozavaptane

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Mechanisms

Molecular Properties

427.6

MW (Da)

5.29

ALogP

HBA

HBD

52.6

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2006
Availability	Unknown
Chirality	Racemic

Routes of Administration

Oral

USAN Stem

-vaptan

Extended Properties

Molecular Formula	C27H29N3O2
MW	427.55
Aromatic Rings	3
Heavy Atoms	32
NP-Likeness	-1.34

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Vasopressin V2 receptor antagonist	ANTAGONIST	Vasopressin V2 receptor	✓	✓

Activity Summary

IC50 10 meas. best 7.92

Ki 4 meas. best 8.03

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vasopressin V2 receptor CHEMBL1790	Ki	8.03	8.02	9.4	2
Vasopressin V2 receptor CHEMBL3766	IC50	7.92	7.22	12.0	2
Vasopressin V1a receptor CHEMBL1889	Ki	6.71	6.71	195.0	1
Vasopressin V2 receptor CHEMBL1790	IC50	6.3	6.3	500.0	1
Oxytocin receptor CHEMBL2049	Ki	6.18	6.18	660.0	1
Vasopressin V1a receptor CHEMBL2868	IC50	5.85	5.85	1400.0	1
Vasopressin V1 receptor CHEMBL2111456	IC50	5.7	5.7	2000.0	1
Unchecked CHEMBL612545	IC50	5.54	5.3375	2914.7	4
Vasopressin V1 receptor CHEMBL2095221	IC50	5.3	5.3	5000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vasopressin V2 receptor	Ki	=	9.42	nM	8.03	Concentration which inhibit [3H]AVP binding to human Vasopressin V2 receptor cod...	11087564
Vasopressin V2 receptor	Ki	=	9.7	nM	8.01	Binding affinity to vasopressin V2 receptor	22984902
Vasopressin V2 receptor	IC50	=	12.0	nM	7.92	Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney	8784453
Vasopressin V1a receptor	Ki	=	195.0	nM	6.71	Binding affinity to vasopressin V1a receptor	22984902
Vasopressin V2 receptor	IC50	=	300.0	nM	6.52	Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as ra...	7241506
Vasopressin V2 receptor	IC50	=	500.0	nM	6.3	Inhibitory activity against human recombinant arginine vasopressin V2 receptor u...	7241506
Oxytocin receptor	Ki	=	660.0	nM	6.18	Binding affinity to oxytocin receptor	22984902
Vasopressin V1a receptor	IC50	=	1400.0	nM	5.85	Displacement of [3H]AVP from AVP-V1a receptor binding site in rat liver	8784453
Vasopressin V1 receptor	IC50	=	2000.0	nM	5.7	Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra...	7241506
Unchecked	IC50	=	2914.7	nM	5.54	PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator...	-
Unchecked	IC50	=	3406.3	nM	5.47	PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ...	-
Unchecked	IC50	=	4559.3	nM	5.34	PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce...	-
Vasopressin V1 receptor	IC50	=	5000.0	nM	5.3	Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra...	7241506
Unchecked	IC50	=	9981.5	nM	5.0	PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce...	-

Literature References

PubMed	DOI	Target Context	# Activities
9651149	10.1021/jm980179c	Rattus norvegicus	8
-	10.6019/CHEMBL4495565	SARS-CoV-2	6
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	3
7241506	10.1021/jm00137a004	Rattus norvegicus	3
22984902	10.1021/jm3006146	Vasopressin V2 receptor	3
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M1	2
7241506	10.1021/jm00137a004	Vasopressin V2 receptor	2
7241506	10.1021/jm00137a004	Vasopressin V1 receptor	2
8784453	10.1021/jm960133o	Rattus norvegicus	2
37468498	10.1038/s41467-023-40064-9	Prostaglandin G/H synthase 1	2
37468498	10.1038/s41467-023-40064-9	Thromboxane A2 receptor	2
37468498	10.1038/s41467-023-40064-9	Voltage-gated inwardly rectifying potassium channel KCNH2	1
37468498	10.1038/s41467-023-40064-9	D(1A) dopamine receptor	1
22984902	10.1021/jm3006146	Vasopressin V1a receptor	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
11087564	10.1021/jm000108p	Vasopressin V2 receptor	1
8784453	10.1021/jm960133o	Vasopressin V2 receptor	1

Data from ChEMBL 36 via Core Engine