Compound Detail

CHEMBL429240

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL429240
Phase	Preclinical
Structure Type	MOL
InChI Key	CENKVAZJQJPIKF-DGFYNRNJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1306.5

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C68H87N15O12
MW	1306.54

Activity Summary

Ki 1 meas. best 9.68

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lutropin-choriogonadotropic hormone receptor CHEMBL2456	Ki	9.68	9.68	0.2	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	44.4	mL.min-1.kg-1	Rattus norvegicus
T1/2	0.06167	hr	-
T1/2	0.74	hr	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lutropin-choriogonadotropic hormone receptor	Ki	=	0.2089	nM	9.68	Negative logarithm of equilibrium dissociation constant in the rat pituitary lut...	1433199

Literature References

PubMed	DOI	Target Context	# Activities
1433199	10.1021/jm00099a017	Rattus norvegicus	3
1433199	10.1021/jm00099a017	Lutropin-choriogonadotropic hormone receptor	1
1433199	10.1021/jm00099a017	ADMET	1

Data from ChEMBL 36 via Core Engine