Compound Detail
CHEMBL4176527
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Basic Information
| ChEMBL ID | CHEMBL4176527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVHJXAPRTIWFJQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4302064 |
| Active Moiety | CHEMBL4302064 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
-0.67
ALogP
6
HBA
3
HBD
87.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.77 | 4.77 | 17000.0 | 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 | = | 300.0 | nM | 6.52 | Inhibition of RNH activity of recombinant HIV1 reverse transcriptase RNase H ass... | 29031062 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of HIV1 integrase pre-incubated for 10 mins before DNA substrate addi... | 29031062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Gag-Pol polyprotein | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus type 1 integrase | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus 1 | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | CEM-SS | 1 |
Data from ChEMBL 36 via Core Engine