Compound Detail
CHEMBL3621826
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Basic Information
| ChEMBL ID | CHEMBL3621826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCPOQKRVZMIZBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
5.92
ALogP
6
HBA
0
HBD
59.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DU-145 CHEMBL613508 | IC50 | 5.08 | 5.08 | 8380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DU-145 | IC50 | = | 8380.0 | nM | 5.08 | Cytotoxicity against human DU145 cells after 72 hrs by MTT assay | 26344783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26344783 | 10.1016/j.ejmech.2015.07.052 | PC-3 | 1 |
| 26344783 | 10.1016/j.ejmech.2015.07.052 | DU-145 | 1 |
| 28351590 | 10.1016/j.bmcl.2017.03.039 | A549 | 1 |
| 28351590 | 10.1016/j.bmcl.2017.03.039 | HCT-116 | 1 |
| 28351590 | 10.1016/j.bmcl.2017.03.039 | ZR-75-30 | 1 |
Data from ChEMBL 36 via Core Engine