Compound Detail
CHEMBL273734
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Basic Information
| ChEMBL ID | CHEMBL273734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCCWSDCUPUCRPC-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.3
MW (Da)
2.80
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 7.0 | nM | 8.15 | Concentration required to inhibit 50% growth of human colon carcinoma cell line ... | 7707314 |
| DNA topoisomerase 1 | IC50 | = | 122.0 | nM | 6.91 | In vitro fragmentation of DNA in the presence of excess calf thymus topoisomeras... | 7707314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707314 | 10.1021/jm00007a008 | HT-29 | 1 |
| 7707314 | 10.1021/jm00007a008 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine