Compound Detail

CHEMBL4229251

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CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4229251
Phase	Preclinical
Structure Type	MOL
InChI Key	NLSUOACVSKQCQB-BSDIXKJFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3695.2

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C172H265N39O51
MW	3695.23

Activity Summary

EC50 3 meas. best 8.45

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Gastric inhibitory polypeptide receptor CHEMBL4383	EC50	8.45	8.45	3.5	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Gastric inhibitory polypeptide receptor	EC50	=	3.545	nM	8.45	Agonist activity at human GIP receptor expressed in HEK293 cells assessed as inc...	29153547

Literature References

PubMed	DOI	Target Context	# Activities
29153547	10.1016/j.bmc.2017.10.047	Glucagon-like peptide 1 receptor	2
29153547	10.1016/j.bmc.2017.10.047	Glucagon receptor	2
29153547	10.1016/j.bmc.2017.10.047	Gastric inhibitory polypeptide receptor	2

Data from ChEMBL 36 via Core Engine