Compound Detail
CHEMBL123092
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Basic Information
| ChEMBL ID | CHEMBL123092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASLSBHINEFFCIB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.20
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.4 | 5.9 | 40.0 | 2 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Tubulin CHEMBL2111354 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against K562 human chronic myelogenous leukemia cell line us... | 14552774 |
| Tubulin alpha chain | IC50 | = | 25000.0 | nM | 4.6 | Concentration that cause a 50% inhibition in tubulin assembly as measured by an ... | 14552774 |
| Tubulin | IC50 | = | 40000.0 | nM | 4.4 | Ability to inhibit the binding of [3H]colchicine to porcine tubulin | 14552774 |
| K562 | IC50 | = | 40000.0 | nM | 4.4 | Anticancer activity against human K562 cells assessed as growth inhibition | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552774 | 10.1016/j.bmcl.2003.07.003 | K562 | 4 |
| 14552774 | 10.1016/j.bmcl.2003.07.003 | Tubulin alpha chain | 1 |
| 14552774 | 10.1016/j.bmcl.2003.07.003 | Tubulin | 1 |
| - | 10.1039/C3MD00241A | K562 | 1 |
Data from ChEMBL 36 via Core Engine