Compound Detail

CHEMBL2440190

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2440190
Phase	Preclinical
Structure Type	MOL
InChI Key	WHYFKXFBZWHHNF-JHBAXKEZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1667.0

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C78H123N25O16
MW	1667.00

Activity Summary

EC50 1 meas. best 7.32

Ki 1 meas. best 7.43

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neuropeptide Y receptor type 4 CHEMBL4877	Ki	7.43	7.43	37.0	1
Neuropeptide Y receptor type 4 CHEMBL4877	EC50	7.32	7.32	48.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neuropeptide Y receptor type 4	Ki	=	37.0	nM	7.43	Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after ...	24090364
Neuropeptide Y receptor type 4	EC50	=	48.0	nM	7.32	Agonist activity at human Y4 receptor expressed in sf9 cells assessed as hydroly...	24090364

Literature References

PubMed	DOI	Target Context	# Activities
24090364	10.1021/jm4008505	Neuropeptide Y receptor type 4	3
24090364	10.1021/jm4008505	Neuropeptide Y receptor type 5	1
24090364	10.1021/jm4008505	Neuropeptide Y receptor type 2	1
24090364	10.1021/jm4008505	Neuropeptide Y receptor type 1	1

Data from ChEMBL 36 via Core Engine