Compound Detail
CHEMBL65339
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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 | CHEMBL65339 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LUCUFURZWPZEOH-RBZQAINGSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
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 3 meas. best 5.82
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCR CHEMBL614332 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 5.16 | 5.16 | 6880.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.04 | 5.04 | 9157.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCR | EC50 | = | 1500.0 | nM | 5.82 | Effective concentration was measured against frog skin(MCR) cells at 10 e-4 10 e... | 9216831 |
| Melanocortin receptor 5 | EC50 | = | 6880.0 | nM | 5.16 | Functional activity at the mouse melanocortin 5 receptor | 11405661 |
| Melanocortin receptor 4 | IC50 | = | 9157.0 | nM | 5.04 | Displacement of [125I]NDP-MSH from Melanocortin 4 receptor at 10 uM | 9216831 |
| Melanocortin receptor 4 | EC50 | = | 11200.0 | nM | 4.95 | Functional activity at the mouse melanocortin 4 receptor | 11405661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216831 | 10.1021/jm960840h | MCR | 1 |
| 9216831 | 10.1021/jm960840h | Melanocyte-stimulating hormone receptor | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 3 | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 4 | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 5 | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine