Compound Detail
CHEMBL400045
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Basic Information
| ChEMBL ID | CHEMBL400045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKQJAKTZIZQDKG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.3
MW (Da)
3.96
ALogP
4
HBA
3
HBD
102.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.32 | 6.705 | 48.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of HIV NL43 recombinant reverse transcriptase by scintillation proxim... | 18083561 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 48.0 | nM | 7.32 | Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintil... | 18083561 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 810.0 | nM | 6.09 | Inhibition of HIV NL43 recombinant reverse transcriptase Y181C mutant by scintil... | 18083561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18083561 | 10.1016/j.bmcl.2007.11.085 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 18083561 | 10.1016/j.bmcl.2007.11.085 | Unchecked | 1 |
| 18083561 | 10.1016/j.bmcl.2007.11.085 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine