Compound Detail
CHEMBL595002
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Basic Information
| ChEMBL ID | CHEMBL595002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORTIQSICVORWBJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.9
MW (Da)
5.84
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 15.0 | nM | 7.82 | Antiviral activity against Human immunodeficiency virus 1 3B | 19632850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19632850 | 10.1016/j.bmc.2009.06.060 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine