Compound Detail
CHEMBL3360531
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Basic Information
| ChEMBL ID | CHEMBL3360531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMZFQVHXSIWEMH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.80
ALogP
6
HBA
0
HBD
82.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione S-transferase Mu 2 CHEMBL4589 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Glutathione S-transferase P CHEMBL3902 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| U2OS CHEMBL615023 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione S-transferase Mu 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric... | 25462236 |
| Glutathione S-transferase P | IC50 | = | 300.0 | nM | 6.52 | Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric... | 25462236 |
| U2OS | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human U2OS cells assessed as cell survival after 48 hrs SRB... | 25462236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25462236 | 10.1016/j.ejmech.2014.10.033 | Glutathione S-transferase P | 1 |
| 25462236 | 10.1016/j.ejmech.2014.10.033 | Glutathione S-transferase Mu 2 | 1 |
| 25462236 | 10.1016/j.ejmech.2014.10.033 | Unchecked | 1 |
| 25462236 | 10.1016/j.ejmech.2014.10.033 | No relevant target | 1 |
| 25462236 | 10.1016/j.ejmech.2014.10.033 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine