Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2096742

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2096742
Phase Preclinical
Structure Type BOTH
InChI Key GGYWLZFXFKFWKL-GLWNXGLNSA-N
6
Targets
23
Activities
3
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

1074.3
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H71N15O9
MW 1074.26

Activity Summary

IC50 9 meas. best 10.22
EC50 8 meas. best 10.44
Kd 6 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocyte-stimulating hormone receptor
CHEMBL3795
 EC50 10.44 9.63 0.0 2
Melanocortin receptor 4
CHEMBL259
 IC50 10.22 9.3933 0.1 3
Melanocortin receptor 5
CHEMBL4608
 IC50 10.05 9.55 0.1 2
Melanocortin receptor 5
CHEMBL4608
 EC50 9.92 9.42 0.1 2
Melanocortin receptor 3
CHEMBL4644
 IC50 9.64 8.92 0.2 3
Melanocortin receptor 4
CHEMBL259
 Kd 9.3 9.1667 0.5 3
Melanocyte-stimulating hormone receptor
CHEMBL4077
 EC50 9.19 9.19 0.6 1
Melanocyte-stimulating hormone receptor
CHEMBL3795
 IC50 9.0 9.0 1.0 1
Melanocortin receptor 3
CHEMBL4644
 Kd 8.7 8.5667 2.0 3
Melanocortin receptor 5
CHEMBL4489
 EC50 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocyte-stimulating hormone receptor EC50 = 0.036 nM 10.44 Effective concentration required for the biological activity against human Melan... 13678399
Melanocortin receptor 4 IC50 = 0.06 nM 10.22 Binding affinity against human Melanocortin-4 receptor 12431055
Melanocortin receptor 5 IC50 = 0.09 nM 10.05 Binding affinity against human Melanocortin 5 receptor 12431055
Melanocortin receptor 5 EC50 = 0.12 nM 9.92 Binding affinity against human Melanocortin 5 receptor 12431055
Melanocortin receptor 3 IC50 = 0.23 nM 9.64 Binding affinity for human Melanocortin-3 receptor 12431055
Melanocortin receptor 4 Kd = 0.5012 nM 9.3 pA2 against human melanocortin receptor, human Melanocortin 4 receptor 13678399
Melanocortin receptor 4 IC50 = 0.6 nM 9.22 Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293... 19473029
Melanocyte-stimulating hormone receptor EC50 = 0.64 nM 9.19 Effective concentration for mouse Melanocortin-1 receptor 15828845
Melanocortin receptor 4 Kd = 0.7943 nM 9.1 Antagonist activity at human MC4 receptor expressed in HEK293 cells assessed as ... 18088090
Melanocortin receptor 4 Kd = 0.7943 nM 9.1 pA2 value for human Melanocortin-4 receptor 12431055
Melanocortin receptor 5 IC50 = 0.9 nM 9.05 Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC5R expressed in HEK293... 19473029
Melanocyte-stimulating hormone receptor IC50 = 1.0 nM 9.0 Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293... 19473029
Melanocortin receptor 5 EC50 = 1.2 nM 8.92 Agonist activity at human MC5R expressed in HEK293 cells assessed as stimulation... 19473029
Melanocyte-stimulating hormone receptor EC50 = 1.5 nM 8.82 Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation... 19473029
Melanocortin receptor 4 IC50 = 1.8 nM 8.74 Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed i... 18088090
Melanocortin receptor 3 Kd = 1.995 nM 8.7 pA2 value for human melanocortin receptor Melanocortin-3 receptor 12431055
Melanocortin receptor 3 Kd = 1.995 nM 8.7 Antagonist activity at human MC3 receptor expressed in HEK293 cells assessed as ... 18088090
Melanocortin receptor 3 IC50 = 2.3 nM 8.64 Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC3R expressed in HEK293... 19473029
Melanocortin receptor 5 EC50 = 2.31 nM 8.64 Effective concentration for mouse Melanocortin-5 receptor 15828845
Melanocortin receptor 3 IC50 = 3.3 nM 8.48 Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed i... 18088090

Literature References

PubMed DOI Target Context # Activities
12431055 10.1021/jm0202526 Melanocortin receptor 3 3
12431055 10.1021/jm0202526 Melanocortin receptor 4 3
12431055 10.1021/jm0202526 Melanocortin receptor 5 3
19473029 10.1021/jm801300c Melanocortin receptor 3 3
19473029 10.1021/jm801300c Melanocortin receptor 4 3
19473029 10.1021/jm801300c Melanocortin receptor 5 3
19473029 10.1021/jm801300c Melanocyte-stimulating hormone receptor 3
18088090 10.1021/jm070461w Melanocortin receptor 4 2
18088090 10.1021/jm070461w Melanocortin receptor 3 2
13678399 10.1021/jm0303103 Melanocyte-stimulating hormone receptor 1
13678399 10.1021/jm0303103 Melanocortin receptor 3 1
13678399 10.1021/jm0303103 Melanocortin receptor 4 1
15828845 10.1021/jm049010r Melanocyte-stimulating hormone receptor 1
15828845 10.1021/jm049010r Melanocortin receptor 3 1
15828845 10.1021/jm049010r Melanocortin receptor 4 1
15828845 10.1021/jm049010r Melanocortin receptor 5 1

Data from ChEMBL 36 via Core Engine