Compound Detail

CHEMBL265264

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CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL265264
Phase	Preclinical
Structure Type	MOL
InChI Key	UTJQBVZALNERNH-JVYXSLHOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1111.3

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C49H70N14O12S2
MW	1111.32

Activity Summary

Kd 4 meas. best 9.23

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vasopressin V1 receptor CHEMBL2095221	Kd	9.23	9.23	0.6	1
Rattus norvegicus CHEMBL376	Kd	7.93	7.44	11.8	2
Vasopressin V2 receptor CHEMBL2344	Kd	6.62	6.62	240.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vasopressin V1 receptor	Kd	=	0.59	nM	9.23	Inhibition of radioligand [3H]AVP binding to V1 receptor in rat liver plasma mem...	7507528
Rattus norvegicus	Kd	=	11.75	nM	7.93	Inhibition of pressor response to exogenous AVP in the pitched rat preparation	7507528
Rattus norvegicus	Kd	=	112.2	nM	6.95	In vitro antiuterotonic activity in rat oxytocic bioassay in the absence of Mg2+	7507528
Vasopressin V2 receptor	Kd	=	240.0	nM	6.62	Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner ...	7507528

Literature References

PubMed	DOI	Target Context	# Activities
7507528	10.1021/jm00028a008	Rattus norvegicus	2
7507528	10.1021/jm00028a008	Vasopressin V2 receptor	1
7507528	10.1021/jm00028a008	Vasopressin V1 receptor	1
7507528	10.1021/jm00028a008	Unchecked	1

Data from ChEMBL 36 via Core Engine