Compound Detail
CHEMBL441988
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CC(=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 | CHEMBL441988 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LUCUFURZWPZEOH-HJOGWXRNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
-0.03
ALogP
5
HBA
7
HBD
210.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 7.44 | 7.44 | 36.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.23 | 5.23 | 5870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 36.0 | nM | 7.44 | Agonist activity at mouse MC5 receptor expressed in HEK-293 cells assessed as cA... | 26005535 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 5870.0 | nM | 5.23 | Functional activity at the mouse melanocortin 1 receptor | 11405661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405661 | 10.1021/jm010061n | Melanocyte-stimulating hormone receptor | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 3 | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 4 | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 5 | 1 |
| 26005535 | 10.1021/acsmedchemlett.5b00053 | Melanocortin receptor 3 | 1 |
| 26005535 | 10.1021/acsmedchemlett.5b00053 | Melanocyte-stimulating hormone receptor | 1 |
| 26005535 | 10.1021/acsmedchemlett.5b00053 | Melanocortin receptor 4 | 1 |
| 26005535 | 10.1021/acsmedchemlett.5b00053 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine