Compound Detail
CHEMBL3942967
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Basic Information
| ChEMBL ID | CHEMBL3942967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOKYAEVWANPOIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.55
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 230.0 | nM | 6.64 | Antiproliferative activity against human HepG2 assessed as reduction in cell via... | 27919655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27919655 | 10.1016/j.bmcl.2016.11.068 | No relevant target | 2 |
| 27919655 | 10.1016/j.bmcl.2016.11.068 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine