Compound Detail

CHEMBL266077

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(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](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL266077
Phase	Preclinical
Structure Type	BOTH
InChI Key	DIEZBIJUFVEMMV-DEMLLOIYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1674.9

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C75H119N25O19
MW	1674.93

Activity Summary

IC50 3 meas. best 6.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neuropeptide Y receptor type 2 CHEMBL4018	IC50	6.8	6.8	160.0	1
Rattus norvegicus CHEMBL376	IC50	5.35	5.35	4500.0	1
Neuropeptide Y receptor type 1 CHEMBL4777	IC50	4.46	4.46	35000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neuropeptide Y receptor type 2	IC50	=	160.0	nM	6.8	Compound was evaluated for its inhibitory activity against Y2 receptor of rabbit...	-
Rattus norvegicus	IC50	=	4500.0	nM	5.35	Compound was evaluated for its ability to inhibit electrically evoked rat vas de...	-
Neuropeptide Y receptor type 1	IC50	=	35000.0	nM	4.46	Compound was evaluated for its inhibitory activity against human neuropeptide Y1...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.1016/S0960-894X(00)80696-4	Neuropeptide Y receptor type 2	1
-	10.1016/S0960-894X(00)80696-4	Rattus norvegicus	1
-	10.1016/S0960-894X(00)80696-4	Neuropeptide Y receptor type 1	1

Data from ChEMBL 36 via Core Engine