Compound Detail
CHEMBL5175444
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5175444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXPVZJDKFVQDGO-ZQZJLAJUSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1319.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.53
Ki 3 meas. best 6.96
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.53 | 8.53 | 3.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 6.96 | 6.96 | 109.7 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.71 | 6.71 | 195.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.52 | 6.52 | 302.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 5.89 | 5.89 | 1288.2 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.04 | 5.04 | 9120.1 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 4.75 | 4.75 | 17782.8 | 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