Compound Detail
CHEMBL58552
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Basic Information
| ChEMBL ID | CHEMBL58552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPHZZAFKMHGJKQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.8
MW (Da)
2.62
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.45 | 4.45 | 35870.0 | 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 | = | 35870.0 | nM | 4.45 | The compound was evaluated for the inhibition of HIV-1 reverse transcriptase | 10673109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10673109 | 10.1016/s0960-894x(99)00672-1 | NON-PROTEIN TARGET | 1 |
| 10673109 | 10.1016/s0960-894x(99)00672-1 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine