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Compound Detail

CHEMBL405282

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CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)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)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL405282
Phase Preclinical
Structure Type BOTH
InChI Key GZWUQPQBOGLSIM-MDMVXOTPSA-N
7
Targets
16
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

1570.8
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C74H99N21O16S
MW 1570.80

Activity Summary

EC50 10 meas. best 9.48
IC50 6 meas. best 8.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 3
CHEMBL4644
 EC50 9.48 9.48 0.3 2
Melanocortin receptor 3
CHEMBL4644
 IC50 8.17 8.17 6.7 2
Melanocortin receptor 5
CHEMBL4489
 EC50 7.46 7.46 35.1 1
Melanocortin receptor 3
CHEMBL4774
 EC50 7.46 7.46 34.6 1
Melanocortin receptor 5
CHEMBL4608
 EC50 7.09 7.09 82.0 2
Melanocortin receptor 4
CHEMBL259
 EC50 7.0 7.0 100.0 2
Melanocortin receptor 5
CHEMBL4608
 IC50 6.47 6.47 340.0 2
Melanocortin receptor 4
CHEMBL259
 IC50 6.22 6.22 600.0 2
Melanocortin receptor 4
CHEMBL3719
 EC50 6.06 6.06 869.0 1
Melanocyte-stimulating hormone receptor
CHEMBL4077
 EC50 5.96 5.96 1090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocortin receptor 3 EC50 = 0.33 nM 9.48 Effective concentration required for intracellular cAMP accumulation against Mel... 11150170
Melanocortin receptor 3 EC50 = 0.33 nM 9.48 Effective concentration for intracellular cAMP accumulation in human melanocorti... 15771429
Melanocortin receptor 3 IC50 = 6.7 nM 8.17 Binding affinity for Human Melanocortin 3 receptor expressed in L-cells 11150170
Melanocortin receptor 3 IC50 = 6.7 nM 8.17 Inhibition of [125I]NDP-MSH binding to Melanocortin 3 receptor expressed in HEK2... 15771429
Melanocortin receptor 3 EC50 = 34.6 nM 7.46 Agonist activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumu... 26959173
Melanocortin receptor 5 EC50 = 35.1 nM 7.46 Agonist activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumu... 26959173
Melanocortin receptor 5 EC50 = 82.0 nM 7.09 Effective concentration required for intracellular cAMP accumulation by Melanoco... 11150170
Melanocortin receptor 5 EC50 = 82.0 nM 7.09 Effective concentration for intracellular cAMP accumulation in human melanocorti... 15771429
Melanocortin receptor 4 EC50 = 100.0 nM 7.0 Effective concentration required for intracellular cAMP accumulation by Melanoco... 11150170
Melanocortin receptor 4 EC50 = 100.0 nM 7.0 Effective concentration for intracellular cAMP accumulation in human melanocorti... 15771429
Melanocortin receptor 5 IC50 = 340.0 nM 6.47 Binding affinity for Human Melanocortin 5 receptor expressed in L-cells 11150170
Melanocortin receptor 5 IC50 = 340.0 nM 6.47 Inhibition of [125I]NDP-MSH binding to Melanocortin 5 receptor expressed in HEK2... 15771429
Melanocortin receptor 4 IC50 = 600.0 nM 6.22 Binding affinity for Human Melanocortin 4 receptor expressed in L-cells 11150170
Melanocortin receptor 4 IC50 = 600.0 nM 6.22 Inhibition of [125I]NDP-MSH binding to Melanocortin 4 receptor expressed in HEK2... 15771429
Melanocortin receptor 4 EC50 = 869.0 nM 6.06 Agonist activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumu... 26959173
Melanocyte-stimulating hormone receptor EC50 = 1090.0 nM 5.96 Agonist activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumu... 26959173

Literature References

PubMed DOI Target Context # Activities
11150170 10.1021/jm000211e Melanocortin receptor 3 3
11150170 10.1021/jm000211e Melanocortin receptor 4 3
11150170 10.1021/jm000211e Melanocortin receptor 5 3
15771429 10.1021/jm049579s Melanocortin receptor 3 3
15771429 10.1021/jm049579s Melanocortin receptor 4 3
15771429 10.1021/jm049579s Melanocortin receptor 5 3
26959173 10.1021/acs.jmedchem.5b01894 Melanocyte-stimulating hormone receptor 1
26959173 10.1021/acs.jmedchem.5b01894 Melanocortin receptor 3 1
26959173 10.1021/acs.jmedchem.5b01894 Melanocortin receptor 4 1
26959173 10.1021/acs.jmedchem.5b01894 Melanocortin receptor 5 1

Data from ChEMBL 36 via Core Engine