Compound Detail
CHEMBL1256533
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Basic Information
| ChEMBL ID | CHEMBL1256533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWUBIZIZCMREQZ-FNORWQNLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.41
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.86 | 4.86 | 13680.0 | 1 |
| BT-20 CHEMBL613870 | IC50 | 4.21 | 4.21 | 61700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 13680.0 | nM | 4.86 | Antioxidant activity against superoxide dismutase like activity after 15 mins by... | 20729081 |
| BT-20 | IC50 | = | 61700.0 | nM | 4.21 | Cytotoxicity against human estrogen receptor-deficient BT20 cells after 24 hrs b... | 20729081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20729081 | 10.1016/j.bmcl.2010.07.128 | NON-PROTEIN TARGET | 1 |
| 20729081 | 10.1016/j.bmcl.2010.07.128 | BXPC-3 | 1 |
| 20729081 | 10.1016/j.bmcl.2010.07.128 | BT-20 | 1 |
| 20729081 | 10.1016/j.bmcl.2010.07.128 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine