Compound Detail
CHEMBL188595
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Basic Information
| ChEMBL ID | CHEMBL188595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RULQQNJZVOOHME-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.93
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.0 | 6.0667 | 100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against wild type HIV-1 LAI cell line | 15481987 |
| Human immunodeficiency virus 1 | IC50 | = | 2510.0 | nM | 5.6 | Inhibitory activity against HIV-1 mutant strain 103N | 15481987 |
| Human immunodeficiency virus 1 | IC50 | = | 2510.0 | nM | 5.6 | Inhibitory activity against HIV-1 mutant strain 181C | 15481987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481987 | 10.1021/jm0407658 | Human immunodeficiency virus 1 | 5 |
Data from ChEMBL 36 via Core Engine