Compound Detail
CHEMBL494535
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Basic Information
| ChEMBL ID | CHEMBL494535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXOLHTYIYPTUKG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.39
ALogP
6
HBA
1
HBD
92.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.82 | 5.61 | 1500.0 | 2 |
| P388 CHEMBL389 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against human KB3-1 cells after 4 days by MTT method | 19303306 |
| P388 | IC50 | = | 1600.0 | nM | 5.8 | Cytotoxicity against mouse P388 cells after 4 days by MTT method | 19303306 |
| NON-PROTEIN TARGET | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human RPMI8402 cells after 4 days by MTT method | 19303306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19303306 | 10.1016/j.bmc.2009.02.023 | NON-PROTEIN TARGET | 5 |
| 19303306 | 10.1016/j.bmc.2009.02.023 | P388 | 2 |
| 19303306 | 10.1016/j.bmc.2009.02.023 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine