Compound Detail
CHEMBL501642
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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]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL501642 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZHWWUNQUSCAJKE-CQPWUTEUSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
965.1
MW (Da)
0.20
ALogP
10
HBA
10
HBD
311.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.7
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 11.0 | nM | 7.96 | Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293... | 19473029 |
| Melanocortin receptor 4 | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at human MC4R expressed in HEK293 cells assessed as stimulation... | 19473029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19473029 | 10.1021/jm801300c | Melanocortin receptor 4 | 4 |
| 19473029 | 10.1021/jm801300c | Melanocortin receptor 3 | 3 |
| 19473029 | 10.1021/jm801300c | Melanocortin receptor 5 | 3 |
| 19473029 | 10.1021/jm801300c | Melanocyte-stimulating hormone receptor | 3 |
Data from ChEMBL 36 via Core Engine