Compound Detail
CHEMBL514506
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Basic Information
| ChEMBL ID | CHEMBL514506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWLOCCUGHDSPFD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
5.38
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 1320.0 | nM | 5.88 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 18692274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18692274 | 10.1016/j.ejmech.2008.06.028 | Human immunodeficiency virus 1 | 1 |
| 18692274 | 10.1016/j.ejmech.2008.06.028 | Unchecked | 1 |
| 18692274 | 10.1016/j.ejmech.2008.06.028 | MT4 | 1 |
| 18692274 | 10.1016/j.ejmech.2008.06.028 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine