Compound Detail

CHEMBL385468

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CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL385468
Phase	Preclinical
Structure Type	MOL
InChI Key	GFIJNRVAKGFPGQ-RCADZFCGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1209.4

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C59H84N16O12
MW	1209.42

Activity Summary

Ki 1 meas. best 9.73

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lutropin-choriogonadotropic hormone receptor CHEMBL2456	Ki	9.73	9.73	0.2	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	9.0	mL.min-1.kg-1	Rattus norvegicus
T1/2	0.01667	hr	-
T1/2	0.06667	hr	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lutropin-choriogonadotropic hormone receptor	Ki	=	0.1862	nM	9.73	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