Compound Detail
CHEMBL444789
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Basic Information
| ChEMBL ID | CHEMBL444789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZYOWBULYLPMGR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
1.25
ALogP
4
HBA
3
HBD
106.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.55 | 4.425 | 28000.0 | 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 | = | 28000.0 | nM | 4.55 | Inhibition of purified HIV-2 reverse transcriptase | 1282569 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of purified HIV-1 reverse transcriptase | 1282569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1704064 | 10.1021/jm00105a033 | MT4 | 20 |
| 1704064 | 10.1021/jm00105a033 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 1282569 | 10.1021/jm00104a010 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 1282569 | 10.1021/jm00104a010 | MT4 | 2 |
| 1704064 | 10.1021/jm00105a033 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine