Compound Detail
CHEMBL5207685
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Basic Information
| ChEMBL ID | CHEMBL5207685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVFJOKSKXXAZBO-HULFFUFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
3.89
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against HIV 1 infected in human HeLa-MAGI cells assessed as i... | 34106711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34106711 | 10.1021/acs.jmedchem.1c00535 | Human immunodeficiency virus type 1 integrase | 1 |
| 34106711 | 10.1021/acs.jmedchem.1c00535 | Human immunodeficiency virus 1 | 1 |
| 34106711 | 10.1021/acs.jmedchem.1c00535 | Unchecked | 1 |
| 34106711 | 10.1021/acs.jmedchem.1c00535 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine