Compound Detail
CHEMBL5575572
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CCCCCCc1cn([C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc5ccccc5c4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)N[C@H](C(N)=O)CCCCNC(=O)C[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N3C2)nn1
Basic Information
| ChEMBL ID | CHEMBL5575572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBQIAPVXQDUVTH-DRJZQVMBSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1242.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.0 | 8.0 | 9.9 | 2 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 7.23 | 7.225 | 58.9 | 2 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 7.16 | 7.16 | 68.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at C-terminal HA-tagged human MC4-R stably expressed in HEK2... | 38345933 |
| Melanocortin receptor 4 | IC50 | = | 9.92 | nM | 8.0 | Antagonist activity at C-terminal HA-tagged human MC4-R stably expressed in HEK2... | 38345933 |
| Melanocortin receptor 3 | IC50 | = | 58.88 | nM | 7.23 | Antagonist activity at C-terminal HA-tagged human MC3-R stably expressed in HEK2... | 38345933 |
| Melanocortin receptor 3 | IC50 | = | 59.5 | nM | 7.22 | Antagonist activity at C-terminal HA-tagged human MC3-R stably expressed in HEK2... | 38345933 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 69.18 | nM | 7.16 | Partial agonist activity at C-terminal HA-tagged human MC1-R stably expressed in... | 38345933 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 68.9 | nM | 7.16 | Partial agonist activity at C-terminal HA-tagged human MC1-R stably expressed in... | 38345933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocortin receptor 4 | 3 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocortin receptor 3 | 3 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocyte-stimulating hormone receptor | 3 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Unchecked | 2 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine