Compound Detail

CHEMBL2110365

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CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2110365
Phase	Preclinical
Structure Type	BOTH
InChI Key	RJRBRCCJETZJLT-FDYNHNOGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2352.8

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C110H170N34O24
MW	2352.78

Activity Summary

Ki 6 meas. best 10.15

EC50 4 meas. best 8.6

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neuropeptide Y receptor type 1 CHEMBL4777	Ki	10.15	9.57	0.1	2
Neuropeptide Y receptor type 4 CHEMBL4877	Ki	9.59	8.32	0.3	2
Neuropeptide Y receptor type 4 CHEMBL4877	EC50	8.6	8.015	2.5	2
Neuropeptide Y receptor type 2 CHEMBL4018	Ki	7.26	7.26	55.0	1
Neuropeptide Y receptor type 5 CHEMBL4561	Ki	6.94	6.94	115.0	1
Neuropeptide Y receptor type 2 CHEMBL4018	EC50	6.01	6.01	983.0	1
Neuropeptide Y receptor type 5 CHEMBL4561	EC50	5.69	5.69	2050.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neuropeptide Y receptor type 1	Ki	=	0.07	nM	10.15	Affinity for cloned Y1 receptor using [125I]PYY as radioligand	11334558
Neuropeptide Y receptor type 4	Ki	=	0.26	nM	9.59	Affinity for cloned Y4 receptor using [125I]PP as radioligand	11334558
Neuropeptide Y receptor type 1	Ki	=	1.023	nM	8.99	Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T ce...	32364733
Neuropeptide Y receptor type 4	EC50	=	2.5	nM	8.6	Agonist potency for the inhibition of Forskolin stimulated cAMP synthesis in cel...	11334558
Neuropeptide Y receptor type 4	EC50	=	37.15	nM	7.43	Agonist activity at Y4R in human HEK293T cells assessed as increase in beta-arre...	32364733
Neuropeptide Y receptor type 2	Ki	=	55.0	nM	7.26	Affinity for cloned Y2 receptor using [125I]PYY as radioligand	11334558
Neuropeptide Y receptor type 4	Ki	=	89.13	nM	7.05	Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T ce...	32364733
Neuropeptide Y receptor type 5	Ki	=	115.0	nM	6.94	Affinity for cloned Y5 receptor using [125I]PYY as radioligand	11334558
Neuropeptide Y receptor type 2	EC50	=	983.0	nM	6.01	Agonist potency for the inhibition of Forskolin stimulated cAMP synthesis in cel...	11334558
Neuropeptide Y receptor type 5	EC50	=	2050.0	nM	5.69	Agonist potency for the inhibition of Forskolin stimulated cAMP synthesis in cel...	11334558

Literature References

PubMed	DOI	Target Context	# Activities
11334558	10.1021/jm010031k	Neuropeptide Y receptor type 1	3
32364733	10.1021/acs.jmedchem.0c00027	Neuropeptide Y receptor type 4	3
11334558	10.1021/jm010031k	Neuropeptide Y receptor type 2	2
11334558	10.1021/jm010031k	Neuropeptide Y receptor type 4	2
11334558	10.1021/jm010031k	Neuropeptide Y receptor type 5	2
32364733	10.1021/acs.jmedchem.0c00027	Neuropeptide Y receptor type 1	1
32364733	10.1021/acs.jmedchem.0c00027	Unchecked	1

Data from ChEMBL 36 via Core Engine