Compound Detail
CHEMBL122075
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Basic Information
| ChEMBL ID | CHEMBL122075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEWHDEVAWUZGKB-ZSOIEALJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.04
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 18000.0 | nM | 4.75 | Inhibitory activity against K562 human chronic myelogenous leukemia cell line us... | 14552774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552774 | 10.1016/j.bmcl.2003.07.003 | K562 | 1 |
| 14552774 | 10.1016/j.bmcl.2003.07.003 | Tubulin alpha chain | 1 |
Data from ChEMBL 36 via Core Engine