Compound Detail
CHEMBL1958231
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Basic Information
| ChEMBL ID | CHEMBL1958231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCZRVLWDCPUWKW-UBKPWBPPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
424.6
MW (Da)
3.57
ALogP
6
HBA
2
HBD
121.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.8 | 4.73 | 16000.0 | 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 | = | 16000.0 | nM | 4.8 | Inhibition of ribonuclease H activity of HIV1 reverse transcriptase using as pol... | 22361685 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency vi... | 22361685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22361685 | 10.1016/j.ejmech.2012.01.056 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine