Compound Detail
CHEMBL335608
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Basic Information
| ChEMBL ID | CHEMBL335608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVEHMNIBHDQJQI-WZYWGQKZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
2.52
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 24000.0 | nM | 4.62 | In vitro inhibitory activity against K562 human leukemia cell line | 11212128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212128 | 10.1016/s0960-894x(00)00686-7 | K562 | 1 |
Data from ChEMBL 36 via Core Engine