Compound Detail
CHEMBL73950
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Basic Information
| ChEMBL ID | CHEMBL73950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KINZOOIPIRMYOK-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
4.14
ALogP
7
HBA
0
HBD
96.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| RPMI 8402 CHEMBL612517 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.52 | 6.4067 | 300.0 | 3 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 150.0 | nM | 6.82 | Cytotoxicity against mouse P388 cells by MTT method | 19012996 |
| RPMI 8402 | IC50 | = | 240.0 | nM | 6.62 | Cytotoxic activity against human lymphoblast tumor cell line RPMI8402 after 4 da... | 12747798 |
| NON-PROTEIN TARGET | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against multidrug resistant human KBV1 cells overexpressing MDR1 by... | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human KB3-1 cells by MTT method | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against multidrug resistant human KBH5.0 cells overexpressing BCRP ... | 19012996 |
| RPMI-8226 | IC50 | = | 2400.0 | nM | 5.62 | Cytotoxicity against human RPMI8226 cells by MTT method | 19012996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19012996 | 10.1016/j.ejmech.2008.09.048 | NON-PROTEIN TARGET | 3 |
| 12747798 | 10.1021/jm020498a | DNA topoisomerase 1 | 1 |
| 12747798 | 10.1021/jm020498a | RPMI 8402 | 1 |
| 12747798 | 10.1021/jm020498a | NON-PROTEIN TARGET | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | P388 | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | RPMI-8226 | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine