Compound Detail
CHEMBL4563474
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Basic Information
| ChEMBL ID | CHEMBL4563474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXKQQDHIJGGRKD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
1.95
ALogP
7
HBA
2
HBD
93.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.66 | 5.1467 | 2200.0 | 3 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.92 | 4.92 | 12000.0 | 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 | = | 2200.0 | nM | 5.66 | Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip... | 26927866 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip... | 26927866 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of HIV integrase pre-incubated for 10 mins before addition of oligo-5... | 26927866 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip... | 26927866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26927866 | 10.1021/acs.jmedchem.5b01879 | Human immunodeficiency virus type 1 reverse transcriptase | 6 |
| 26927866 | 10.1021/acs.jmedchem.5b01879 | Unchecked | 2 |
| 26927866 | 10.1021/acs.jmedchem.5b01879 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine