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Compound Detail

CHEMBL1688107

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C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O

Basic Information

ChEMBL ID CHEMBL1688107
Phase Preclinical
Structure Type BOTH
InChI Key VEIBXMZRLHAMLO-LANMVBEMSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

1506.7
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C72H87N19O14S2
MW 1506.74

Activity Summary

EC50 8 meas. best 9.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL3719
EC50 9.77 9.67 0.2 2
Melanocyte-stimulating hormone receptor
CHEMBL4077
EC50 9.52 9.49 0.3 2
Melanocortin receptor 5
CHEMBL4489
EC50 8.84 8.74 1.4 2
Melanocortin receptor 3
CHEMBL4774
EC50 8.77 8.735 1.7 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21306168 10.1021/jm101425m Melanocyte-stimulating hormone receptor 1
21306168 10.1021/jm101425m Melanocortin receptor 3 1
21306168 10.1021/jm101425m Melanocortin receptor 4 1
21306168 10.1021/jm101425m Melanocortin receptor 5 1
23432160 10.1021/jm301253y Melanocortin receptor 5 1
23432160 10.1021/jm301253y Melanocortin receptor 4 1
23432160 10.1021/jm301253y Melanocortin receptor 3 1
23432160 10.1021/jm301253y Melanocyte-stimulating hormone receptor 1

Data from ChEMBL 36 via Core Engine