Compound Detail
CHEMBL314451
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Basic Information
| ChEMBL ID | CHEMBL314451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXBCCUHBXYWKEH-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.56
ALogP
4
HBA
4
HBD
62.1
PSA (Ų)
0.20
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.68
Ki 1 meas. best 7.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 99.0 | nM | 7.0 | Binding affinity to the mouse polyamine transporter on the L1210 cell surface | 12801231 |
| L1210 | IC50 | = | 2100.0 | nM | 5.68 | In vitro cytotoxicity was determined against alpha-difluoromethylornithine treat... | 12801231 |
| L1210 | IC50 | = | 6400.0 | nM | 5.19 | In vitro cytotoxicity against L1210 (murine leukemia) cells. | 12801231 |
| CHO | IC50 | = | 18100.0 | nM | 4.74 | In vitro cytotoxicity against Chinese hamster ovary (CHO) cells. | 12801231 |
| CHO-MG | IC50 | = | 33500.0 | nM | 4.47 | In vitro cytotoxicity against Chinese hamster ovary mutant cell line (CHO-MG). | 12801231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12801231 | 10.1021/jm020598g | L1210 | 3 |
| 12801231 | 10.1021/jm020598g | Unchecked | 1 |
| 12801231 | 10.1021/jm020598g | CHO-MG | 1 |
| 12801231 | 10.1021/jm020598g | CHO | 1 |
| 12801231 | 10.1021/jm020598g | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine