Compound Detail
CHEMBL149913
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 | CHEMBL149913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEWFCBYOUIAVOR-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
4.31
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.67
IC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.67 | 5.67 | 2130.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.67 | 5.67 | 2130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2130.0 | nM | 5.67 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| Human immunodeficiency virus 1 | IC50 | = | 2130.0 | nM | 5.67 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus 1 | 2 |
| 12431069 | 10.1021/jm020977+ | Unchecked | 1 |
| 18687505 | 10.1016/j.ejmech.2008.05.036 | Human immunodeficiency virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine