Compound Detail
CHEMBL455714
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Basic Information
| ChEMBL ID | CHEMBL455714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEGXWAMXLFRXDC-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
3.65
ALogP
6
HBA
1
HBD
78.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.64 | 6.4725 | 230.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against mouse P388 cells by MTT method | 18771930 |
| NON-PROTEIN TARGET | IC50 | = | 230.0 | nM | 6.64 | Cytotoxicity against human KB3-1 cells by MTT method | 18771930 |
| NON-PROTEIN TARGET | IC50 | = | 280.0 | nM | 6.55 | Cytotoxicity against human RPMI8402 cells by MTT method | 18771930 |
| NON-PROTEIN TARGET | IC50 | = | 420.0 | nM | 6.38 | Cytotoxicity against human KBV1 cells by MTT method | 18771930 |
| NON-PROTEIN TARGET | IC50 | = | 480.0 | nM | 6.32 | Cytotoxicity against human KBH5.0 cells by MTT method | 18771930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18771930 | 10.1016/j.bmc.2008.08.018 | NON-PROTEIN TARGET | 5 |
| 18771930 | 10.1016/j.bmc.2008.08.018 | P388 | 2 |
| 18771930 | 10.1016/j.bmc.2008.08.018 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine