Compound Detail
CHEMBL257522
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Basic Information
| ChEMBL ID | CHEMBL257522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZNQKDGDXTXFDJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.8
MW (Da)
4.29
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 810.0 | nM | 6.09 | Antiproliferative activity against human MIA PaCa cells after 96 hrs | 18276141 |
| DU-145 | IC50 | = | 1690.0 | nM | 5.77 | Antiproliferative activity against human DU145 cells after 96 hrs | 18276141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18276141 | 10.1016/j.bmcl.2008.01.082 | DU-145 | 1 |
| 18276141 | 10.1016/j.bmcl.2008.01.082 | NON-PROTEIN TARGET | 1 |
| 18276141 | 10.1016/j.bmcl.2008.01.082 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine