Compound Detail
CHEMBL543000
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL543000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEUSKSHVPJYZCJ-BOXHHOBZSA-N |
| Parent Compound | CHEMBL1191844 |
| Active Moiety | CHEMBL1191844 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.10
ALogP
7
HBA
3
HBD
117.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.03 | 7.03 | 92.5 | 1 |
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 92.5 | nM | 7.03 | Compound was tested in vitro for cytotoxicity against L1210 murine leukemia cell... | - |
| DNA topoisomerase 1 | IC50 | = | 20400.0 | nM | 4.69 | Compound was tested in vitro for inhibition of topoisomerase I. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00083-2 | Mus musculus | 2 |
| - | 10.1016/0960-894X(96)00083-2 | L1210 | 1 |
| - | 10.1016/0960-894X(96)00083-2 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine