Compound Detail
CHEMBL5416095
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C[C@@H]1NC(=O)c2cc(NC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5416095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNBTXPIMNKGZFB-ZTLMDPNHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1324.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 9.01 | 9.005 | 1.0 | 2 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 7.68 | 7.65 | 20.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 0.98 | nM | 9.01 | Agonist activity at human MC4R stably expressed in human Flp-In-293 cells assess... | 36808973 |
| Melanocortin receptor 4 | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human MC4R stably expressed in human Flp-In-293 cells assess... | 36808973 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 20.89 | nM | 7.68 | Agonist activity at human MC1R stably expressed in human Flp-In-293 cells assess... | 36808973 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 24.0 | nM | 7.62 | Agonist activity at human MC1R stably expressed in human Flp-In-293 cells assess... | 36808973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36808973 | 10.1021/acs.jmedchem.2c01587 | Melanocyte-stimulating hormone receptor | 3 |
| 36808973 | 10.1021/acs.jmedchem.2c01587 | Melanocortin receptor 4 | 3 |
| 36808973 | 10.1021/acs.jmedchem.2c01587 | Melanocortin receptor 3 | 2 |
| 36808973 | 10.1021/acs.jmedchem.2c01587 | Melanocortin receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine