Compound Detail
CHEMBL132691
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Basic Information
| ChEMBL ID | CHEMBL132691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMDLTYJFNYHMHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
5.03
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.73 | 4.73 | 18600.0 | 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 | = | 18600.0 | nM | 4.73 | The quantity of compound required to reduce WT Reverse transcriptase activity by... | 9435891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435891 | 10.1021/jm970096g | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 9435891 | 10.1021/jm970096g | CEM-SS | 1 |
Data from ChEMBL 36 via Core Engine