Compound Detail
CHEMBL4098785
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CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4098785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHZUXXIKZIQBLB-BMRXBMFVSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1709.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.03
Ki 3 meas. best 8.02
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 9.03 | 9.03 | 0.9 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 8.02 | 8.02 | 9.6 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.64 | 6.125 | 229.1 | 2 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 6.12 | 6.12 | 758.6 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 5.85 | 5.85 | 1412.5 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocortin receptor 4 | 6 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocyte-stimulating hormone receptor | 4 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocortin receptor 3 | 4 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Unchecked | 4 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | Melanocortin receptor 5 | 2 |
| 29605997 | 10.1021/acs.jmedchem.8b00170 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine