Compound Detail
CHEMBL4081067
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Basic Information
| ChEMBL ID | CHEMBL4081067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIKVQKMDLQHSKA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.67
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.1 | 4.1 | 79400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 79400.0 | nM | 4.1 | Antiviral activity against VSV pseudotyped HIV1 infected in SupT1 cells after 48... | 28117586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28117586 | 10.1021/acs.jnatprod.6b00829 | Human immunodeficiency virus 1 | 1 |
| 28117586 | 10.1021/acs.jnatprod.6b00829 | Staphylococcus aureus | 1 |
| 28117586 | 10.1021/acs.jnatprod.6b00829 | Escherichia coli | 1 |
| 28409637 | 10.1021/acs.jnatprod.6b01069 | MCF7 | 1 |
| 28409637 | 10.1021/acs.jnatprod.6b01069 | HT-29 | 1 |
| 31359750 | 10.1021/acs.jnatprod.9b00151 | L5178Y | 1 |
| 31359750 | 10.1021/acs.jnatprod.9b00151 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine