Compound Detail
CHEMBL245888
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Basic Information
| ChEMBL ID | CHEMBL245888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRNUVTSRBRIYIO-XLPZGREQSA-O |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.2
MW (Da)
-0.96
ALogP
7
HBA
3
HBD
134.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.05
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9.0 | nM | 8.05 | Antiviral activity against HIV1 in C8166 cells assessed as inhibition of syncyti... | 17317161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317161 | 10.1016/j.bmcl.2006.11.070 | C8166 | 1 |
| 17317161 | 10.1016/j.bmcl.2006.11.070 | Human immunodeficiency virus 1 | 1 |
| 17317161 | 10.1016/j.bmcl.2006.11.070 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine