Compound Detail
CHEMBL419625
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CC(=O)NCC(=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 | CHEMBL419625 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YSUKJNAHJIVKOH-ISJGIBHGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
605.7
MW (Da)
-0.92
ALogP
6
HBA
8
HBD
239.7
PSA (Ų)
0.06
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCR CHEMBL614332 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCR | EC50 | = | 4200.0 | nM | 5.38 | Effective concentration was measured against frog skin MCR cells at 10 e-4 10 e-... | 9216831 |
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 |
Data from ChEMBL 36 via Core Engine