Compound Detail
CHEMBL500516
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CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL500516 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JRFFLTFJJPSALV-FKWFRFQNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
700.8
MW (Da)
-0.79
ALogP
8
HBA
11
HBD
291.9
PSA (Ų)
0.03
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.65 | 6.65 | 226.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at mouse MC4R expressed in HEK293 cells by CRE/beta-galactosida... | 18800761 |
| Melanocortin receptor 5 | EC50 | = | 226.0 | nM | 6.65 | Agonist activity at mouse MC5R expressed in HEK293 cells by CRE/beta-galactosida... | 18800761 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 2300.0 | nM | 5.64 | Agonist activity at mouse MC1R expressed in HEK293 cells by CRE/beta-galactosida... | 18800761 |
| Melanocortin receptor 3 | EC50 | = | 16400.0 | nM | 4.79 | Agonist activity at mouse MC3R expressed in HEK293 cells by CRE/beta-galactosida... | 18800761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800761 | 10.1021/jm800291b | Melanocyte-stimulating hormone receptor | 2 |
| 18800761 | 10.1021/jm800291b | Melanocortin receptor 3 | 2 |
| 18800761 | 10.1021/jm800291b | Melanocortin receptor 4 | 2 |
| 18800761 | 10.1021/jm800291b | Melanocortin receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine