Compound Detail
CHEMBL100934
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Basic Information
| ChEMBL ID | CHEMBL100934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMKJJNGAUVCDBG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
4.15
ALogP
5
HBA
2
HBD
104.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C8166 CHEMBL614533 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.22 | 6.9867 | 60.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C8166 | IC50 | = | 39.0 | nM | 7.41 | Inhibitory activity against HIV-1 IIIB replication in C8166 cells. | 9685235 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 60.0 | nM | 7.22 | Inhibitory activity against HIV-1 wild-type reverse transcriptase. | 9685235 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 80.0 | nM | 7.1 | Inhibitory activity against HIV-1 Y181C reverse transcriptase. | 9685235 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 230.0 | nM | 6.64 | Inhibitory activity against HIV-1 Y188L reverse transcriptase. | 9685235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685235 | 10.1021/jm9707028 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 9685235 | 10.1021/jm9707028 | C8166 | 1 |
Data from ChEMBL 36 via Core Engine