Compound Detail
CHEMBL134227
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CC(=O)O[C@@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL134227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDHWWLULUFLVOI-WBPRFABPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
5.67
ALogP
6
HBA
0
HBD
75.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 720.0 | nM | 6.14 | Inhibitory concentration against HIV-1 reverse transcriptase in scintillation pr... | 7506311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7506311 | 10.1021/jm00078a001 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine