Compound Detail
CHEMBL13848
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Basic Information
| ChEMBL ID | CHEMBL13848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHABPYKLSIDMAX-QFIPXVFZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
1.50
ALogP
8
HBA
2
HBD
120.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
| SK-VLB CHEMBL614927 | IC50 | 6.35 | 6.35 | 444.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 32.0 | nM | 7.5 | Concentration required to inhibit 50% growth of human ovarian cancer cell line(S... | 7707314 |
| DNA topoisomerase 1 | IC50 | = | 167.0 | nM | 6.78 | In vitro fragmentation of DNA in the presence of excess calf thymus topoisomeras... | 7707314 |
| SK-VLB | IC50 | = | 444.0 | nM | 6.35 | Concentration required to inhibit 50% growth of vinblastine resistant ovarian ca... | 7707314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707314 | 10.1021/jm00007a008 | SK-OV-3 | 1 |
| 7707314 | 10.1021/jm00007a008 | SK-VLB | 1 |
| 7707314 | 10.1021/jm00007a008 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine