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Compound Detail

CHEMBL2371712

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CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON

Basic Information

ChEMBL ID CHEMBL2371712
Phase Preclinical
Structure Type BOTH
InChI Key UKMQKNTZNHDSPD-BJHTYDBZSA-N
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1588.8
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C80H105N19O16
MW 1588.84

Activity Summary

IC50 4 meas. best 8.7
EC50 3 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocyte-stimulating hormone receptor
CHEMBL3795
EC50 8.7 8.7 2.0 1
Melanocyte-stimulating hormone receptor
CHEMBL3795
IC50 8.7 8.7 2.0 1
Melanocortin receptor 5
CHEMBL4608
IC50 8.7 8.7 2.0 1
Melanocortin receptor 3
CHEMBL4644
IC50 8.52 8.52 3.0 1
Melanocortin receptor 4
CHEMBL259
EC50 8.48 8.48 3.3 1
Melanocortin receptor 4
CHEMBL259
IC50 8.4 8.4 4.0 1
Melanocortin receptor 3
CHEMBL4644
EC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771429 10.1021/jm049579s Melanocyte-stimulating hormone receptor 3
15771429 10.1021/jm049579s Melanocortin receptor 3 3
15771429 10.1021/jm049579s Melanocortin receptor 4 3
15771429 10.1021/jm049579s Melanocortin receptor 5 2

Data from ChEMBL 36 via Core Engine