Compound Detail
CHEMBL374570
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Basic Information
| ChEMBL ID | CHEMBL374570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSDSYJPLPOKHMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.10
ALogP
6
HBA
0
HBD
95.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.81
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DU-145 | IC50 | = | 15.37 | nM | 7.81 | Anticancer activity against human DU145 cells after 72 hrs by XTT assay | 18829316 |
| HL-60 | IC50 | = | 1240.0 | nM | 5.91 | Cytotoxicity against human promyelocytic leukemia HL60 cell line by MTT assay | 17249647 |
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 |
| 17249647 | 10.1021/jm060849b | HL-60 | 1 |
| 17249647 | 10.1021/jm060849b | No relevant target | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | A2780 | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | HBL-100 | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | HeLa | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | SW1573 | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | T47D | 1 |
| 20304655 | 10.1016/j.bmc.2010.02.032 | WiDr | 1 |
| - | 10.1007/s00044-011-9788-9 | Bacillus cereus | 1 |
| - | 10.1007/s00044-011-9788-9 | Escherichia coli | 1 |
| - | 10.1007/s00044-011-9788-9 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine