Compound Detail
CHEMBL442696
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Basic Information
| ChEMBL ID | CHEMBL442696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFFVRHGYDOPFSV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
2.17
ALogP
6
HBA
3
HBD
118.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.16 | 4.99 | 7000.0 | 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 | = | 7000.0 | nM | 5.16 | Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as tem... | 10514284 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as tem... | 10514284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514284 | 10.1021/jm990051a | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
Data from ChEMBL 36 via Core Engine