Compound Detail
CHEMBL4450288
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Basic Information
| ChEMBL ID | CHEMBL4450288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOKUIUFXFFBDMV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
2.25
ALogP
7
HBA
1
HBD
82.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.09 | 4.99 | 8100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip... | 26927866 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of re-constituted HIV1 reverse transcriptase RNase H domain fragment | 26927866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26927866 | 10.1021/acs.jmedchem.5b01879 | Human immunodeficiency virus type 1 reverse transcriptase | 8 |
| 26927866 | 10.1021/acs.jmedchem.5b01879 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine