Compound Detail
CHEMBL2114259
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CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)[C@H](C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2114259 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YWFIQEKJSAXXQX-VYMBWKBNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1678.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 10.7 | 10.7 | 0.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.02 | nM | 10.7 | Decrease in frog skin reflectivity (metabotropic activity). | 9276019 |
| Unchecked | EC50 | = | 1.0 | nM | 9.0 | Decrease in lizard skin reflectivity (metabotropic activity). | 9276019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276019 | 10.1021/jm970018t | Melanocyte-stimulating hormone receptor | 2 |
| 9276019 | 10.1021/jm970018t | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine