Compound Detail
CHEMBL2375491
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COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL2375491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFPJOJFVZXWMSM-CKROWEISSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
570.5
MW (Da)
5.09
ALogP
10
HBA
4
HBD
152.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 17500.0 | nM | 4.76 | Cytotoxicity against human MT4 cells by CellTitre-Glo luminescent assay | 23611151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23611151 | 10.1021/np300815t | MT4 | 1 |
| 23611151 | 10.1021/np300815t | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine