Compound Detail
CHEMBL4781419
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Basic Information
| ChEMBL ID | CHEMBL4781419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBFNYLXZVBJDAH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.7
MW (Da)
2.99
ALogP
7
HBA
1
HBD
88.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1100.0 | nM | 5.96 | Potentiation of vorinostat-induced reactivation of latent HIV-1 infected in huma... | 33488970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33488970 | 10.1021/acsmedchemlett.0c00551 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine