Compound Detail

CHEMBL410553

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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]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL410553
Phase	Preclinical
Structure Type	BOTH
InChI Key	VBJIOVOOUYYUNI-DITHBEATSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3502.8

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C150H217N43O49S3
MW	3502.84

Activity Summary

EC50 1 meas. best 5.12

IC50 1 meas. best 6.25

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucagon receptor CHEMBL4720	IC50	6.25	6.25	562.0	1
Adenylate cyclase CHEMBL2095179	EC50	5.12	5.12	7500.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucagon receptor	IC50	=	562.0	nM	6.25	Glucagon receptor binding measured as 50% inhibitory concentration	11543679
Adenylate cyclase	EC50	=	7500.0	nM	5.12	Adenylate cyclase activity measured as 50% inhibitory concentration	11543679

Literature References

PubMed	DOI	Target Context	# Activities
11543679	10.1021/jm010091q	Glucagon receptor	2
11543679	10.1021/jm010091q	Adenylate cyclase	2

Data from ChEMBL 36 via Core Engine