Compound Detail

CHEMBL368791

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CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL368791
Phase	Preclinical
Structure Type	MOL
InChI Key	WILNJBJZWIOTDZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

495.6

MW (Da)

6.71

ALogP

HBA

HBD

52.6

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vasopressin V2 receptor CHEMBL3766	IC50	7.7	7.7	20.0	1
Vasopressin V2 receptor CHEMBL1790	IC50	7.52	7.52	30.0	1
Vasopressin V1 receptor CHEMBL2095221	IC50	6.32	6.32	480.0	1
Vasopressin V1 receptor CHEMBL2111456	IC50	5.7	5.7	2000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vasopressin V2 receptor	IC50	=	20.0	nM	7.7	Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as ra...	7241506
Vasopressin V2 receptor	IC50	=	30.0	nM	7.52	Inhibitory activity against human recombinant arginine vasopressin V2 receptor u...	7241506
Vasopressin V1 receptor	IC50	=	480.0	nM	6.32	Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra...	7241506
Vasopressin V1 receptor	IC50	=	2000.0	nM	5.7	Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra...	7241506

PubMed	DOI	Target Context	# Activities
7241506	10.1021/jm00137a004	Rattus norvegicus	3
7241506	10.1021/jm00137a004	Vasopressin V1 receptor	2
7241506	10.1021/jm00137a004	Vasopressin V2 receptor	2

Data from ChEMBL 36 via Core Engine