Compound Detail
CHEMBL370254
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NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1
Basic Information
| ChEMBL ID | CHEMBL370254 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OVIZBCMXCJAPHP-PGXSJUQOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
643.8
MW (Da)
-0.76
ALogP
7
HBA
9
HBD
265.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 8.56 | 8.56 | 2.8 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 7.73 | 7.73 | 18.5 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 7.17 | 7.17 | 67.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 2.78 | nM | 8.56 | In vitro agonist potency for Mouse Melanocortin 5 receptor | 15857138 |
| Melanocortin receptor 4 | EC50 | = | 18.5 | nM | 7.73 | In vitro agonist potency for Mouse Melanocortin 4 receptor | 15857138 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 67.0 | nM | 7.17 | In vitro agonist potency for Mouse Melanocortin 1 receptor | 15857138 |
| Melanocortin receptor 3 | EC50 | = | 250.0 | nM | 6.6 | In vitro agonist potency for Mouse Melanocortin 3 receptor | 15857138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857138 | 10.1021/jm0490843 | Melanocyte-stimulating hormone receptor | 1 |
| 15857138 | 10.1021/jm0490843 | Melanocortin receptor 3 | 1 |
| 15857138 | 10.1021/jm0490843 | Melanocortin receptor 4 | 1 |
| 15857138 | 10.1021/jm0490843 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine