Compound Detail
CHEMBL3969560
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Basic Information
| ChEMBL ID | CHEMBL3969560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARUCNQBSXWAIHL-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
3.13
ALogP
7
HBA
2
HBD
108.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.44 | 6.65 | 36.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 36.0 | nM | 7.44 | Antiproliferative activity against human HepG2 assessed as reduction in cell via... | 27919655 |
| NON-PROTEIN TARGET | IC50 | = | 290.0 | nM | 6.54 | Antiproliferative activity against human MIAPaCa2 assessed as reduction in cell ... | 27919655 |
| NON-PROTEIN TARGET | IC50 | = | 420.0 | nM | 6.38 | Antiproliferative activity against human MCF7 assessed as reduction in cell viab... | 27919655 |
| NON-PROTEIN TARGET | IC50 | = | 580.0 | nM | 6.24 | Antiproliferative activity against human Bel7402 assessed as reduction in cell v... | 27919655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27919655 | 10.1016/j.bmcl.2016.11.068 | NON-PROTEIN TARGET | 4 |
| 27919655 | 10.1016/j.bmcl.2016.11.068 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine