Compound Detail
CHEMBL3753146
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Basic Information
| ChEMBL ID | CHEMBL3753146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJXKBHCATWSLFQ-SQBHOSFOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
2.84
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 4.22 | 4.22 | 60700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10000.0 | nM | 5.0 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 26774654 |
| Hep 3B2 | IC50 | = | 60700.0 | nM | 4.22 | Cytotoxicity against human Hep3B cells assessed as decrease in cell viability af... | 29567344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26774654 | 10.1016/j.bmcl.2016.01.008 | ADMET | 1 |
| 26774654 | 10.1016/j.bmcl.2016.01.008 | NON-PROTEIN TARGET | 1 |
| 29567344 | 10.1016/j.bmcl.2018.03.043 | Hep 3B2 | 1 |
| 29567344 | 10.1016/j.bmcl.2018.03.043 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine