Compound Detail
CHEMBL320459
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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]2CSCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL320459 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WOHSQSMMWMHNJU-BBJWTENBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
967.2
MW (Da)
-2.51
ALogP
12
HBA
11
HBD
360.2
PSA (Ų)
0.05
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.48 | 8.48 | 3.3 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 3.33 | nM | 8.48 | Decrease in frog skin reflectivity (metabotropic activity). | 9276019 |
| Unchecked | EC50 | = | 20.0 | nM | 7.7 | Decrease in lizard skin reflectivity (metabotropic activity). | 9276019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276019 | 10.1021/jm970018t | Melanocyte-stimulating hormone receptor | 2 |
| 9276019 | 10.1021/jm970018t | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine