Compound Detail

CHEMBL438191

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CCCC/N=C(\NC#N)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL438191
Phase	Preclinical
Structure Type	MOL
InChI Key	IVNGTVBGBSRJND-OCWVAJRQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1537.8

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C75H104N22O14
MW	1537.80

Activity Summary

Kd 1 meas. best 9.35

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Gonadotropin-releasing hormone receptor CHEMBL3066	Kd	9.35	9.35	0.5	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Gonadotropin-releasing hormone receptor	Kd	=	0.45	nM	9.35	In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measu...	1714956

Literature References

PubMed	DOI	Target Context	# Activities
1714956	10.1021/jm00112a013	Gonadotropin-releasing hormone receptor	2
1714956	10.1021/jm00112a013	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine