Compound Detail
CHEMBL79403
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Basic Information
| ChEMBL ID | CHEMBL79403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTTIBCHOELPGFK-GFCCVEGCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
3.50
ALogP
4
HBA
1
HBD
21.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.16 | 6.0867 | 70.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 70.0 | nM | 7.16 | Ability to inhibit HIV-1 Reverse Transcriptase (RT) using an rC-dG template/prim... | 7520079 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 900.0 | nM | 6.05 | Inhibitory activity against HIV rRT activity in wild type IIIB strain | 8558522 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 9000.0 | nM | 5.05 | Inhibitory activity against HIV rRT activity in mutant HIV-1 strain resistant to... | 8558522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558522 | 10.1021/jm950568w | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 8558522 | 10.1021/jm950568w | Human immunodeficiency virus type 2 pol protein | 1 |
| 7520079 | 10.1021/jm00041a023 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7520079 | 10.1021/jm00041a023 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine