Compound Detail
CHEMBL398837
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Basic Information
| ChEMBL ID | CHEMBL398837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFGBGZAXGDXPNU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
467.2
MW (Da)
5.22
ALogP
3
HBA
2
HBD
46.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.68 | 6.8267 | 21.0 | 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 | = | 21.0 | nM | 7.68 | Tested for the inhibition of wild type HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 240.0 | nM | 6.62 | Tested for the inhibition of mutant type (Ile100) HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 660.0 | nM | 6.18 | Tested for the inhibition of mutant type (Cys181) HIV-1 (IIIB) RT | 8863804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863804 | 10.1021/jm950639r | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 8863804 | 10.1021/jm950639r | MT4 | 3 |
| 17307357 | 10.1016/j.bmcl.2007.01.103 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-007-9087-7 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine