Compound Detail
CHEMBL5172738
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C#CCCCCN1C(=O)C2=C(SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC3=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL5172738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRTHPANNFOMYJE-LPRGXNBOSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
2230.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.09
Ki 3 meas. best 8.75
IC50 1 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 10.09 | 10.09 | 0.1 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 8.75 | 8.75 | 1.8 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 7.78 | 7.78 | 16.6 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 7.63 | 7.63 | 23.4 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.21 | 7.21 | 61.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Unchecked | 4 |
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Melanocyte-stimulating hormone receptor | 2 |
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Melanocortin receptor 3 | 2 |
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Melanocortin receptor 4 | 2 |
| 36167503 | 10.1021/acs.jmedchem.2c00793 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine