Compound Detail
CHEMBL269591
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 | CHEMBL269591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSWZCGSZXQUWRD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.91
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.94 | 5.79 | 1140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1140.0 | nM | 5.94 | In vitro ability to inhibit mutant P236L reverse transcriptase | 10715167 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2310.0 | nM | 5.64 | In vitro ability to inhibit wild type resistant (WT) reverse transcriptase | 10715167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715167 | 10.1021/jm990383f | Human immunodeficiency virus type 1 reverse transcriptase | 8 |
| 10715167 | 10.1021/jm990383f | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine