Compound Detail

CHEMBL5077951

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CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)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](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5077951
Phase	Preclinical
Structure Type	MOL
InChI Key	LVHVRGDXLSIEGE-LKNGSPAHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3390.9

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C153H241N41O44S
MW	3390.92

Activity Summary

IC50 3 meas. best 9.14

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Gastric inhibitory polypeptide receptor CHEMBL4383	IC50	9.14	9.14	0.7	1
RAW264.7 CHEMBL612557	IC50	8.33	8.33	4.6	1
Glucagon-like peptide 2 receptor CHEMBL5844	IC50	7.64	7.64	22.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Gastric inhibitory polypeptide receptor	IC50	=	0.72	nM	9.14	Binding affinity towards GIP receptor in human HEK293 cells measured by fluoresc...	-
RAW264.7	IC50	=	4.631	nM	8.33	Inhibition of RANKL-induced osteoclastogenesis in mouse RAW264.7 cells measured ...	-
Glucagon-like peptide 2 receptor	IC50	=	22.86	nM	7.64	Binding affinity towards GLP-2 receptor in human HEK293 cells measured by fluore...	-

Data from ChEMBL 36 via Core Engine