Compound Detail
CHEMBL317969
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CC(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL317969 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UIBDIGUMWQQJIJ-XHPANXIASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
696.8
MW (Da)
0.09
ALogP
7
HBA
8
HBD
252.6
PSA (Ų)
0.04
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.05 | 6.05 | 887.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.94 | 5.94 | 1150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 400.0 | nM | 6.4 | In vitro activation of mouse recombinant Melanocortin-5 receptor. | 12061882 |
| Melanocortin receptor 4 | EC50 | = | 887.0 | nM | 6.05 | In vitro activation of mouse recombinant Melanocortin-4 receptor. | 12061882 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 1150.0 | nM | 5.94 | In vitro activation of mouse recombinant Melanocortin-1 receptor. | 12061882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12061882 | 10.1021/jm0104872 | Melanocyte-stimulating hormone receptor | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 3 | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 4 | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine