Compound Detail
CHEMBL42691
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 | CHEMBL42691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQDOAFJZPCKIGD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.2
MW (Da)
0.35
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 9600.0 | nM | 5.02 | Anti-HIV activity by using phytohemagglutininin-stimulated peripheral blood mono... | 8648601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648601 | 10.1021/jm9509197 | ADMET | 1 |
| 8648601 | 10.1021/jm9509197 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine