Compound Detail
CHEMBL1096897
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Basic Information
| ChEMBL ID | CHEMBL1096897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNHDXXQDZMBISL-NDQFZYFBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
301.5
MW (Da)
4.43
ALogP
3
HBA
1
HBD
24.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.87 | 4.87 | 13489.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 13489.63 | nM | 4.87 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20110136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20110136 | 10.1016/j.ejmech.2010.01.002 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine