Compound Detail
CHEMBL557629
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CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(N)=O)CN[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL557629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNKKIZAQIDNXQY-ADWZWCNWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2420.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 10.47 | 10.47 | 0.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL4730 | Ki | 10.28 | 10.28 | 0.1 | 1 |
| Melanin-concentrating hormone receptor 2 CHEMBL5038 | Ki | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 0.034 | nM | 10.47 | Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[is... | 19361985 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 0.052 | nM | 10.28 | Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[is... | 19361985 |
| Melanin-concentrating hormone receptor 2 | Ki | = | 1.6 | nM | 8.8 | Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[is... | 19361985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19361985 | 10.1016/j.bmcl.2009.03.102 | Melanin-concentrating hormone receptor 1 | 2 |
| 19361985 | 10.1016/j.bmcl.2009.03.102 | Melanin-concentrating hormone receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine