Compound Detail
CHEMBL4857899
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Basic Information
| ChEMBL ID | CHEMBL4857899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNUQSBCPXVTJRH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
4.59
ALogP
7
HBA
1
HBD
100.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.63
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.63 | 6.63 | 234.0 | 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 | = | 58.0 | nM | 7.24 | Inhibition of wild type HIV1 p66/p51 reverse transcriptase using poly(rA) as tem... | 34496571 |
| Human immunodeficiency virus 1 | EC50 | = | 234.0 | nM | 6.63 | 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