Compound Detail
CHEMBL4093140
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CCCC[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)CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=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
Basic Information
| ChEMBL ID | CHEMBL4093140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDCIPOBDQMOUKD-LXJGJVCSSA-N |
4
Targets
8
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1632.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 11.0
IC50 4 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 11.0 | 11.0 | 0.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Melanocyte-stimulating hormone receptor | 4 |
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Melanocortin receptor 3 | 4 |
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Melanocortin receptor 4 | 4 |
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Melanocortin receptor 5 | 4 |
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Anolis carolinensis | 3 |
| 29094944 | 10.1021/acs.jmedchem.7b01295 | Serum | 1 |
Data from ChEMBL 36 via Core Engine