Compound Detail
CHEMBL58497
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CCc1c(C)nc(O)c(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1
Basic Information
| ChEMBL ID | CHEMBL58497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKXKLYXDGRCNKK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
3.45
ALogP
6
HBA
4
HBD
129.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 3200.0 | nM | 5.5 | Effective concentration required to achieve 50% inhibition of HIV-1 LAI replicat... | 10821705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821705 | 10.1021/jm991125l | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine