Compound Detail
CHEMBL100844
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Basic Information
| ChEMBL ID | CHEMBL100844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPXOKVIWPKXGGH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.15
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.52 | 6.03 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 300.0 | nM | 6.52 | Inhibitory activity against HIV-1 wild-type reverse transcriptase. | 9685235 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2900.0 | nM | 5.54 | Inhibitory activity against HIV-1 Y181C reverse transcriptase. | 9685235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685235 | 10.1021/jm9707028 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine