Compound Detail
CHEMBL511070
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Basic Information
| ChEMBL ID | CHEMBL511070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXYNFNKJPGLJSC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
2.80
ALogP
6
HBA
0
HBD
82.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 90000.0 | nM | 4.05 | Cytotoxicity against human HepG2 cells assessed as NADH level after overnight in... | 22537683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18632275 | 10.1016/j.bmc.2008.06.043 | Unchecked | 2 |
| 22537683 | 10.1016/j.bmc.2012.03.074 | Staphylococcus aureus | 1 |
| 22537683 | 10.1016/j.bmc.2012.03.074 | Streptococcus pneumoniae | 1 |
| 22537683 | 10.1016/j.bmc.2012.03.074 | Streptococcus pyogenes | 1 |
| 22537683 | 10.1016/j.bmc.2012.03.074 | Moraxella catarrhalis | 1 |
| 22537683 | 10.1016/j.bmc.2012.03.074 | Haemophilus influenzae | 1 |
| 22537683 | 10.1016/j.bmc.2012.03.074 | Escherichia coli | 1 |
| 22537683 | 10.1016/j.bmc.2012.03.074 | HepG2 | 1 |
| 22537683 | 10.1016/j.bmc.2012.03.074 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine