Compound Detail
CHEMBL4852687
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Basic Information
| ChEMBL ID | CHEMBL4852687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIXDZUFZPWOPMA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.65
ALogP
7
HBA
1
HBD
107.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.97
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.97 | 5.97 | 1072.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of wild type HIV1 p66/p51 reverse transcriptase using poly(rA) as tem... | 34496571 |
| Human immunodeficiency virus 1 | EC50 | = | 1072.0 | nM | 5.97 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 34496571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34496571 | 10.1021/acs.jmedchem.1c00987 | Human immunodeficiency virus 1 | 2 |
| 34496571 | 10.1021/acs.jmedchem.1c00987 | ADMET | 2 |
| 34496571 | 10.1021/acs.jmedchem.1c00987 | MT4 | 1 |
| 34496571 | 10.1021/acs.jmedchem.1c00987 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 34496571 | 10.1021/acs.jmedchem.1c00987 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine