Compound Detail
CHEMBL2370696
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C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2370696 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DWCRGASLZHIIPH-QTDVOZQNSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1323.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
Kd 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | Kd | 5.84 | 5.84 | 1445.4 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 4.55 | 4.55 | 28100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Kd | = | 1445.44 | nM | 5.84 | Antagonist activity against mouse melanocortin-4 receptor (MC4R) using Schild an... | 11708914 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 28100.0 | nM | 4.55 | Agonist activity against mouse melanocortin-1 receptor | 11708914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708914 | 10.1021/jm010215z | Melanocyte-stimulating hormone receptor | 1 |
| 11708914 | 10.1021/jm010215z | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine