Compound Detail
CHEMBL2364550
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CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H]([C@H](C)c2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2364550 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MCTYNMAXUZDSBU-DJPPPKSRSA-N |
2
Targets
5
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1038.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.52
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.52 | 7.8667 | 3.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 8.18 | 8.18 | 6.7 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.3 | - | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 3.0 | nM | 8.52 | Effective concentration against Melanocortin 1 receptor transfected into L-cells... | 7473600 |
| Unchecked | EC50 | = | 6.67 | nM | 8.18 | Decrease in lizard skin reflectivity (metabotropic activity). | 9276019 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 15.0 | nM | 7.82 | The concentration that inhibits 50% specific binding was determined against the ... | 7473600 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 28.6 | nM | 7.54 | Decrease in frog skin reflectivity (metabotropic activity). | 9276019 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 28.6 | nM | 7.54 | Effective concentration for the effect of Melanocortin 1 receptor in the frog sk... | 7473600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473600 | 10.1021/jm00023a012 | Melanocyte-stimulating hormone receptor | 6 |
| 7473600 | 10.1021/jm00023a012 | ADMET | 3 |
| 9276019 | 10.1021/jm970018t | Melanocyte-stimulating hormone receptor | 2 |
| 9276019 | 10.1021/jm970018t | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine