Compound Detail
CHEMBL286942
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Basic Information
| ChEMBL ID | CHEMBL286942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOZAIMBFPZVRMW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
2.38
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| L1210 CHEMBL386 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 18.0 | nM | 7.75 | Inhibitory concentration required to reduce cell number to 50% of control cultur... | 11311063 |
| Lewis lung carcinoma cell line | IC50 | = | 39.0 | nM | 7.41 | Inhibitory concentration required to reduce cell number to 50% of control cultur... | 11311063 |
| L1210 | IC50 | = | 42.0 | nM | 7.38 | Nanomolar concentration required to reduce the growth of L1210 cells in culture ... | 3572972 |
| NON-PROTEIN TARGET | IC50 | = | 207.0 | nM | 6.68 | Inhibitory concentration required to reduce cell number to 50% of control cultur... | 11311063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3572972 | 10.1021/jm00388a017 | Calf thymus DNA | 2 |
| 3572972 | 10.1021/jm00388a017 | P388 | 2 |
| 3572972 | 10.1021/jm00388a017 | Lewis lung carcinoma cell line | 2 |
| 11311063 | 10.1021/jm0003283 | Unchecked | 2 |
| 3572972 | 10.1021/jm00388a017 | L1210 | 1 |
| 3572972 | 10.1021/jm00388a017 | No relevant target | 1 |
| 11311063 | 10.1021/jm0003283 | P388 | 1 |
| 11311063 | 10.1021/jm0003283 | Lewis lung carcinoma cell line | 1 |
| 11311063 | 10.1021/jm0003283 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine