Compound Detail
CHEMBL4865147
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O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43)NCCCCC(=O)Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43
Basic Information
| ChEMBL ID | CHEMBL4865147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQMVLFAEBALNCN-VQVSISRWSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1507.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.26
Ki 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 CHEMBL5845 | IC50 | 7.26 | 5.9675 | 55.0 | 4 |
| Glycine receptor subunit alpha-1 CHEMBL5845 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| Glycine receptor (alpha-1/beta) CHEMBL2363052 | IC50 | 5.75 | 5.75 | 1778.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33596384 | 10.1021/acs.jnatprod.0c01030 | Glycine receptor subunit alpha-1 | 5 |
| 33596384 | 10.1021/acs.jnatprod.0c01030 | Glycine receptor (alpha-1/beta) | 2 |
Data from ChEMBL 36 via Core Engine