Compound Detail
CHEMBL110251
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Basic Information
| ChEMBL ID | CHEMBL110251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBBJCSZQBBGNDY-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
1.58
ALogP
8
HBA
5
HBD
194.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.12
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.12 | 7.7867 | 7.5 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 7.5 | nM | 8.12 | Concentration required to inhibit the growth of L1210 cells. | 9022805 |
| L1210 | IC50 | = | 23.9 | nM | 7.62 | Inhibitory activity for the growth inhibition of L1210 cell line. | 2299633 |
| L1210 | IC50 | = | 23.9 | nM | 7.62 | Concentration required to inhibit 50% growth of L1210 cells in culture. | 1732549 |
| NON-PROTEIN TARGET | IC50 | = | 78.0 | nM | 7.11 | Concentration required to inhibit the growth of chang liver cells. | 9022805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022805 | 10.1021/jm950553y | Mus musculus | 8 |
| 2299633 | 10.1021/jm00164a033 | L1210 | 1 |
| 2299633 | 10.1021/jm00164a033 | Dihydrofolate reductase | 1 |
| 2299633 | 10.1021/jm00164a033 | Unchecked | 1 |
| 1732549 | 10.1021/jm00080a017 | Dihydrofolate reductase | 1 |
| 1732549 | 10.1021/jm00080a017 | L1210 | 1 |
| 1732549 | 10.1021/jm00080a017 | Unchecked | 1 |
| 9022805 | 10.1021/jm950553y | L1210 | 1 |
| 9022805 | 10.1021/jm950553y | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine