Compound Detail
CHEMBL116350
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Basic Information
| ChEMBL ID | CHEMBL116350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYXKZCBDZOVHQK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
3.85
ALogP
2
HBA
3
HBD
52.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.52 | 6.69 | 30.0 | 3 |
| RBL-2H3 CHEMBL614632 | IC50 | 5.21 | 5.21 | 6100.0 | 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 | = | 30.0 | nM | 7.52 | Tested for the inhibition of wild type HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 320.0 | nM | 6.5 | Tested for the inhibition of mutant type (Cys181) HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assa... | 10617082 |
| RBL-2H3 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of IgE receptor/FcERI mediated leukotriene release from rat RBL-2H3 c... | 12565956 |
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 |
| 10617082 | 10.1016/s0960-894x(99)00624-1 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 12565956 | 10.1016/s0960-894x(02)00992-7 | RBL-2H3 | 1 |
Data from ChEMBL 36 via Core Engine