Compound Detail
CHEMBL225049
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Basic Information
| ChEMBL ID | CHEMBL225049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBKNQCODYLEAAU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
6.14
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.7 | 5.2525 | 2000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of HIV1 RT | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of HIV1 RT L100I mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of HIV1 RT K103N mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of HIV1 RT V106A mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of HIV1 RT Y181I mutant | 16279773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279773 | 10.1021/jm050257d | Human immunodeficiency virus type 1 reverse transcriptase | 5 |
| 16279773 | 10.1021/jm050257d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine