Compound Detail
CHEMBL354055
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Basic Information
| ChEMBL ID | CHEMBL354055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXKVXUQXNRYHMZ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
1.05
ALogP
10
HBA
5
HBD
210.5
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas.
IC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2.2 | nM | 8.66 | In vitro inhibition of L1210 cell growth in rodent neoplastic cells | 7108907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7108907 | 10.1021/jm00349a024 | Mus musculus | 8 |
| 7108907 | 10.1021/jm00349a024 | L1210 | 6 |
| 7108907 | 10.1021/jm00349a024 | Dihydrofolate reductase | 1 |
| 7108907 | 10.1021/jm00349a024 | Unchecked | 1 |
| 7108907 | 10.1021/jm00349a024 | Ehrlich | 1 |
| 11465411 | 10.1023/a:1011064806507 | ATP-binding cassette sub-family C member 2 | 1 |
Data from ChEMBL 36 via Core Engine