Compound Detail
CHEMBL1161313
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CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL1161313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXDWLOZJHHTTCF-CRLJADTFSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1036.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.57
Kd 2 meas. best 9.8
EC50 1 meas. best 10.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 10.57 | 10.57 | 0.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 10.51 | 10.51 | 0.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Kd | 9.8 | 9.8 | 0.2 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 9.64 | 9.64 | 0.2 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Kd | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | IC50 | = | 0.027 | nM | 10.57 | Binding affinity against human Melanocortin 5 receptor | 12431055 |
| Melanocortin receptor 5 | EC50 | = | 0.031 | nM | 10.51 | Binding affinity against human Melanocortin 5 receptor | 12431055 |
| Melanocortin receptor 4 | Kd | = | 0.1585 | nM | 9.8 | pA2 value for human Melanocortin-4 receptor | 12431055 |
| Melanocortin receptor 3 | IC50 | = | 0.21 | nM | 9.68 | Binding affinity for human Melanocortin-3 receptor | 12431055 |
| Melanocortin receptor 4 | IC50 | = | 0.23 | nM | 9.64 | Binding affinity against human Melanocortin-4 receptor | 12431055 |
| Melanocortin receptor 3 | Kd | = | 0.3981 | nM | 9.4 | pA2 value for human Melanocortin-3 receptor | 12431055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431055 | 10.1021/jm0202526 | Melanocortin receptor 3 | 3 |
| 12431055 | 10.1021/jm0202526 | Melanocortin receptor 4 | 3 |
| 12431055 | 10.1021/jm0202526 | Melanocortin receptor 5 | 3 |
Data from ChEMBL 36 via Core Engine