Compound Detail

CHEMBL2310894

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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2310894
Phase	Preclinical
Structure Type	BOTH
InChI Key	QLMDAIIHEVBJJP-ZEPDPMHKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3348.8

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C148H239N47O42
MW	3348.83

Activity Summary

EC50 1 meas. best 7.28

IC50 1 meas. best 7.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Growth hormone secretagogue receptor type 1 CHEMBL4616	IC50	7.96	7.96	11.0	1
HEK293 CHEMBL614818	EC50	7.28	7.28	53.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Growth hormone secretagogue receptor type 1	IC50	=	11.0	nM	7.96	Binding affinity to cloned human growth hormone secretagogue receptor type 1 in ...	11087562
HEK293	EC50	=	53.0	nM	7.28	Effective dose measuring intracellular calcium elevation in HEK293 cells	11087562

Literature References

PubMed	DOI	Target Context	# Activities
11087562	10.1021/jm0001727	HEK293	2
11087562	10.1021/jm0001727	Growth hormone secretagogue receptor type 1	1

Data from ChEMBL 36 via Core Engine