Compound Detail

CHEMBL176264

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Cn1ccc2c1CCCCN2C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL176264
Phase	Preclinical
Structure Type	MOL
InChI Key	RRHOINWFAMAGIC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

449.6

MW (Da)

5.93

ALogP

HBA

HBD

54.3

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vasopressin V2 receptor CHEMBL1790	IC50	7.22	7.22	60.0	1
Vasopressin V1 receptor CHEMBL2111456	IC50	6.68	6.68	210.0	1
Vasopressin V1 receptor CHEMBL2095221	IC50	6.52	6.52	300.0	1
Vasopressin V2 receptor CHEMBL3766	IC50	6.42	6.42	380.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vasopressin V2 receptor	IC50	=	60.0	nM	7.22	Inhibitory activity against human recombinant arginine vasopressin V2 receptor u...	7241506
Vasopressin V1 receptor	IC50	=	210.0	nM	6.68	Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra...	7241506
Vasopressin V1 receptor	IC50	=	300.0	nM	6.52	Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra...	7241506
Vasopressin V2 receptor	IC50	=	380.0	nM	6.42	Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as ra...	7241506

PubMed	DOI	Target Context	# Activities
7241506	10.1021/jm00137a004	Vasopressin V1 receptor	2
7241506	10.1021/jm00137a004	Vasopressin V2 receptor	2
7241506	10.1021/jm00137a004	Rattus norvegicus	2

Data from ChEMBL 36 via Core Engine