Compound Detail
CHEMBL118739
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Basic Information
| ChEMBL ID | CHEMBL118739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZCOQGWLGFBFIO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.24
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | EC50 | 5.11 | 5.1 | 7700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | EC50 | = | 7700.0 | nM | 5.11 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 1992136 |
| Human immunodeficiency virus | EC50 | = | 7900.0 | nM | 5.1 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 1992136 |
| Human immunodeficiency virus | EC50 | = | 8200.0 | nM | 5.09 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 1992136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992136 | 10.1021/jm00105a055 | Human immunodeficiency virus | 6 |
| 1992136 | 10.1021/jm00105a055 | MT4 | 2 |
Data from ChEMBL 36 via Core Engine