Compound Detail
CHEMBL225050
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL225050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBPBIJYTXQTRFZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
6.11
ALogP
4
HBA
1
HBD
43.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.82 | 5.6867 | 1500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of HIV1 RT | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of HIV1 RT V106A mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of HIV1 RT K103N mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of HIV1 RT L100I 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