Compound Detail
CHEMBL609957
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Basic Information
| ChEMBL ID | CHEMBL609957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVLWBNLSRCYIJJ-NYYWCZLTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.6
MW (Da)
0.88
ALogP
5
HBA
3
HBD
126.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.9 | 4.9 | 12705.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 12705.74 | nM | 4.9 | Cytotoxicity against mouse L1210 cells after 65 hrs by MTS/PES microculture tetr... | 21536434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163191 | 10.1021/jm031127c | Xanthine dehydrogenase/oxidase | 1 |
| 21536434 | 10.1016/j.bmcl.2011.04.009 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine