Compound Detail
CHEMBL358037
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Basic Information
| ChEMBL ID | CHEMBL358037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGYHEJDITQIJLQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
2.03
ALogP
8
HBA
2
HBD
95.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 90000.0 | nM | 4.05 | Concentration required for 50% inhibition of K562 human chronic myelogenous leuk... | 11140732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140732 | 10.1016/s0960-894x(00)00596-5 | K562 | 1 |
| 15658859 | 10.1021/jm049444m | Tubulin beta-1 chain | 1 |
Data from ChEMBL 36 via Core Engine