Compound Detail
CHEMBL342620
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Basic Information
| ChEMBL ID | CHEMBL342620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRKSZHPGBHPTGM-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.67
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.72
Ki 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.12 | 5.5467 | 750.0 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Ki | 6.01 | 6.01 | 970.0 | 1 |
| Adenosine kinase CHEMBL3589 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Inhibition of HIV1 RT | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 750.0 | nM | 6.12 | Inhibition of HIV1 RT L100I mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 970.0 | nM | 6.01 | In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT) | 10543890 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of HIV1 RT V106A mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of HIV1 RT K103N mutant | 16279773 |
| Adenosine kinase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of human adenosine kinase | 21319802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279773 | 10.1021/jm050257d | Human immunodeficiency virus type 1 reverse transcriptase | 5 |
| 10543890 | 10.1021/jm990150o | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 16279773 | 10.1021/jm050257d | Unchecked | 1 |
| 21319802 | 10.1021/jm101438u | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine