Compound Detail
CHEMBL390811
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Basic Information
| ChEMBL ID | CHEMBL390811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGEIWONBDYYJIU-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
0.91
ALogP
7
HBA
3
HBD
107.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Simian immunodeficiency virus CHEMBL613499 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Simian immunodeficiency virus | EC50 | = | 200.0 | nM | 6.7 | Inhibition of SIV-induced cytopathogenicity in CEM174 cells | 17055732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17055732 | 10.1016/j.bmc.2006.09.062 | Unchecked | 2 |
| 17055732 | 10.1016/j.bmc.2006.09.062 | Simian immunodeficiency virus | 1 |
| 17055732 | 10.1016/j.bmc.2006.09.062 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine