Compound Detail
CHEMBL491870
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL491870 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZUBCUEXAMNVTMP-FKWFRFQNSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
720.2
MW (Da)
0.28
ALogP
7
HBA
10
HBD
265.9
PSA (Ų)
0.04
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 9.55 | 8.435 | 0.3 | 2 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 8.83 | 8.83 | 1.5 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 7.42 | 7.42 | 38.2 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 7.07 | 7.07 | 84.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 0.28 | nM | 9.55 | Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 ... | 24517312 |
| Melanocortin receptor 4 | EC50 | = | 0.4 | nM | 9.4 | Agonist activity at mouse MC4R expressed in HEK293 cells by CRE/beta-galactosida... | 18800761 |
| Melanocortin receptor 5 | EC50 | = | 1.47 | nM | 8.83 | Agonist activity at mouse MC5R expressed in HEK293 cells by CRE/beta-galactosida... | 18800761 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 38.2 | nM | 7.42 | Agonist activity at mouse MC1R expressed in HEK293 cells by CRE/beta-galactosida... | 18800761 |
| Melanocortin receptor 4 | EC50 | = | 48.0 | nM | 7.32 | Agonist activity at human melanocortin-4 receptor L106P mutant expressed in HEK2... | 24517312 |
| Melanocortin receptor 3 | EC50 | = | 84.8 | nM | 7.07 | 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 |
| 18800761 | 10.1021/jm800291b | Unchecked | 2 |
| 24517312 | 10.1021/jm500064t | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine