Compound Detail
CHEMBL3327345
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Basic Information
| ChEMBL ID | CHEMBL3327345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQDQETVSKXIFBN-VOTSOKGWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
3.55
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.15 | 5.12 | 7010.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 7010.0 | nM | 5.15 | Antitumor activity against human HL60 cells assessed as inhibition of cell growt... | 25160837 |
| NON-PROTEIN TARGET | IC50 | = | 8180.0 | nM | 5.09 | Antitumor activity against human SGC7901 cells assessed as inhibition of cell gr... | 25160837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25160837 | 10.1016/j.bmcl.2014.08.024 | NON-PROTEIN TARGET | 2 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | SiHa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HeLa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | BeWo | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine