Compound Detail
CHEMBL145474
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Basic Information
| ChEMBL ID | CHEMBL145474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKLMGCFUHMAWCU-QHHAFSJGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.2
MW (Da)
0.75
ALogP
9
HBA
5
HBD
211.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Ki | 5.0 | 4.4767 | 10000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 10000.0 | nM | 5.0 | Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt) | 14561099 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 52000.0 | nM | 4.28 | Inhibitory activity against HIV-1 reverse transcriptase (RT M184V) | 14561099 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 71000.0 | nM | 4.15 | Inhibitory activity against HIV-1 reverse transcriptase (RT M184I) | 14561099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561099 | 10.1021/jm030048y | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 14561099 | 10.1021/jm030048y | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine