Compound Detail
CHEMBL2403542
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Basic Information
| ChEMBL ID | CHEMBL2403542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBMOBKYUNOKSHD-QNGOZBTKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
436.9
MW (Da)
5.25
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 5.26 | 5.26 | 5480.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 5480.0 | nM | 5.26 | Antiproliferative activity against human PC3 cells expressing SKP2 after 72 hrs ... | 23735281 |
| Prostaglandin G/H synthase 2 | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of ovine COX-2 assessed as using arachidonic acid as substrate preinc... | 23735281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23735281 | 10.1016/j.ejmech.2013.04.062 | PC-3 | 3 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | Prostaglandin G/H synthase 2 | 2 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | Prostaglandin G/H synthase 1 | 1 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine