Compound Detail
CHEMBL2337358
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Basic Information
| ChEMBL ID | CHEMBL2337358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPOYBNQNDNYUEU-RMKNXTFCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
3.08
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.65 | 5.65 | 2240.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.3 | 4.3 | 49560.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.16 | 4.16 | 69250.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.04 | 4.04 | 90520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2240.0 | nM | 5.65 | Antioxidant activity assessed as concentration required for 50 % inhibition of m... | 23434138 |
| MCF7 | IC50 | = | 49560.0 | nM | 4.3 | Cytotoxicity against human MCF7 cells after 72 hrs by SRB assay | 23434138 |
| PC-3 | IC50 | = | 69250.0 | nM | 4.16 | Cytotoxicity against human PC3 cells after 72 hrs by SRB assay | 23434138 |
| HT-29 | IC50 | = | 90520.0 | nM | 4.04 | Cytotoxicity against human HT-29 cells after 72 hrs by SRB assay | 23434138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434138 | 10.1016/j.bmc.2013.01.026 | HT-29 | 1 |
| 23434138 | 10.1016/j.bmc.2013.01.026 | PC-3 | 1 |
| 23434138 | 10.1016/j.bmc.2013.01.026 | MCF7 | 1 |
| 23434138 | 10.1016/j.bmc.2013.01.026 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine