Compound Detail
CHEMBL1783998
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Basic Information
| ChEMBL ID | CHEMBL1783998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYCRQFIGFJGQTF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.93
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 1020.0 | nM | 5.99 | Cytotoxicity against human HT-29 cells after 72 hrs by MTS assay | 21435753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21435753 | 10.1016/j.ejmech.2011.02.065 | DNA topoisomerase 1 | 4 |
| 21435753 | 10.1016/j.ejmech.2011.02.065 | HT-29 | 2 |
| 21435753 | 10.1016/j.ejmech.2011.02.065 | Calf thymus DNA | 2 |
| 21435753 | 10.1016/j.ejmech.2011.02.065 | DNA topoisomerase 2-alpha | 2 |
| 21435753 | 10.1016/j.ejmech.2011.02.065 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine