Compound Detail
CHEMBL485229
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Basic Information
| ChEMBL ID | CHEMBL485229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPNLDANGCFDNDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.47
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DU-145 CHEMBL613508 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DU-145 | IC50 | = | 8.8 | nM | 8.06 | Anticancer activity against human DU145 cells after 72 hrs by XTT assay | 18829316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18829316 | 10.1016/j.bmcl.2008.09.053 | DU-145 | 2 |
| - | 10.1007/s00044-011-9788-9 | Mycobacterium tuberculosis | 2 |
| - | 10.1007/s00044-011-9788-9 | Bacillus cereus | 1 |
| - | 10.1007/s00044-011-9788-9 | Staphylococcus aureus | 1 |
| - | 10.1007/s00044-011-9788-9 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine