Compound Detail
CHEMBL225416
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 | CHEMBL225416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOADPFCSOUEJBY-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
5.01
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.7 | 6.33 | 200.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 36.0 | nM | 7.44 | Inhibition of HIV1 RT | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of HIV1 RT V106A mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of HIV1 RT Y188L mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of HIV1 RT L100I mutant | 16279773 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 800.0 | nM | 6.1 | 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 | 2 |
| 16279773 | 10.1021/jm050257d | C8166 | 1 |
| 16279773 | 10.1021/jm050257d | Human immunodeficiency virus 1 | 1 |
| 16279773 | 10.1021/jm050257d | NSO | 1 |
| 16279773 | 10.1021/jm050257d | Daudi | 1 |
| 16279773 | 10.1021/jm050257d | NIH3T3 | 1 |
| 16279773 | 10.1021/jm050257d | ADMET | 1 |
Data from ChEMBL 36 via Core Engine