Compound Detail
CHEMBL223178
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Basic Information
| ChEMBL ID | CHEMBL223178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFPHQLQGXWTHSA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.9
MW (Da)
6.59
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.85 | 5.4833 | 1400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of HIV1 RT | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1400.0 | nM | 5.85 | 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 | = | 5000.0 | nM | 5.3 | Inhibition of HIV1 RT V106A 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