Compound Detail
CHEMBL114423
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Basic Information
| ChEMBL ID | CHEMBL114423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYZOXFOATZYUMM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
6.40
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 22000.0 | nM | 4.66 | In vitro inhibitory concentration against human chronic myelogenous leukemia K56... | 12852768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852768 | 10.1021/jm0307685 | K562 | 1 |
| 12852768 | 10.1021/jm0307685 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine