Compound Detail
CHEMBL93217
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 | CHEMBL93217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTQXEMLATWTPSP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
2.14
ALogP
6
HBA
2
HBD
100.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor cell line CHEMBL614310 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| L1210 CHEMBL386 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor cell line | IC50 | = | 30.0 | nM | 7.52 | Inhibitory concentration against human solid tumor cell line DU145 prostate and ... | 12873503 |
| L1210 | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration against L1210 leukemia cell proliferation | 12873503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873503 | 10.1016/s0960-894x(03)00534-1 | L1210 | 2 |
| 12873503 | 10.1016/s0960-894x(03)00534-1 | DNA topoisomerase 1 | 1 |
| 12873503 | 10.1016/s0960-894x(03)00534-1 | Tumor cell line | 1 |
Data from ChEMBL 36 via Core Engine