Compound Detail
CHEMBL59237
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Basic Information
| ChEMBL ID | CHEMBL59237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DABSVOFHWWOBPI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.3
MW (Da)
5.12
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 100.0 | nM | 7.0 | Inhibition of HIV-1 reverse transcriptase. | 12723956 |
| Human immunodeficiency virus 1 | IC50 | = | 100.0 | nM | 7.0 | Antiviral activity against HIV1 | 19112024 |
| Human immunodeficiency virus 1 | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against HIV1 infected CEM cells | 17663538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723956 | 10.1021/jm020271f | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 17663538 | 10.1021/jm060103d | Human immunodeficiency virus 1 | 1 |
| 17663538 | 10.1021/jm060103d | CCRF-CEM | 1 |
| 17663538 | 10.1021/jm060103d | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine