Compound Detail
CHEMBL4086724
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Basic Information
| ChEMBL ID | CHEMBL4086724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPCYNIYZPDJCMB-XLFHBGCDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
2.16
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.05 | 4.05 | 89700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 89700.0 | nM | 4.05 | 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 |
| 28802670 | 10.1016/j.bmc.2017.07.041 | Nannizzia gypsea | 1 |
| 28802670 | 10.1016/j.bmc.2017.07.041 | OVCAR-3 | 1 |
| 28802670 | 10.1016/j.bmc.2017.07.041 | MDA-MB-231 | 1 |
| 28802670 | 10.1016/j.bmc.2017.07.041 | MDA-MB-435 | 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