Compound Detail
CHEMBL66704
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Basic Information
| ChEMBL ID | CHEMBL66704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHSAXGWUBJTHME-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.9
MW (Da)
4.14
ALogP
3
HBA
1
HBD
24.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 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 | 5.66 | 2180.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2187.8 | 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 | = | 2180.0 | nM | 5.66 | Inhibitory concentration against HIV-1 replication by interfering with virus rev... | 8667357 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2187.76 | nM | 5.66 | Inhibition of HIV1 reverse transcriptase | 18760864 |
| Unchecked | IC50 | = | 2187.76 | nM | 5.66 | Inhibition of HIV reverse transcriptase | 20060625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667357 | 10.1021/jm950589q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18760864 | 10.1016/j.ejmech.2008.07.020 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 20060625 | 10.1016/j.ejmech.2009.12.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine