Compound Detail

CHEMBL2114176

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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)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](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2114176
Phase	Preclinical
Structure Type	BOTH
InChI Key	MBFPGOMXVAUTEP-FVHBQNEKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3404.8

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C153H223N41O46S
MW	3404.77

Activity Summary

IC50 1 meas. best 7.46

Kd 1 meas. best 6.2

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucagon receptor CHEMBL4720	IC50	7.46	7.46	34.5	1
Adenylate cyclase type 5 CHEMBL3189	Kd	6.2	6.2	631.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucagon receptor	IC50	=	34.5	nM	7.46	Inhibition of [125I]glucagon binding towards Glucagon receptor	8691441
Adenylate cyclase type 5	Kd	=	630.96	nM	6.2	pA2 value was calculated from dose-response plots generated by using different c...	8691441

Literature References

PubMed	DOI	Target Context	# Activities
8691441	10.1021/jm960130b	Adenylate cyclase type 5	3
8691441	10.1021/jm960130b	Glucagon receptor	2

Data from ChEMBL 36 via Core Engine