Compound Detail
CHEMBL356370
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Basic Information
| ChEMBL ID | CHEMBL356370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJRSPUQFMNDPAN-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
3.22
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Tubulin beta-1 chain CHEMBL1915 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 4.79 | 4.79 | 16218.1 | 2 |
| Tubulin CHEMBL2111354 | IC50 | 4.79 | 4.5567 | 16300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 50.0 | nM | 7.3 | Concentration required for 50% inhibition of K562 human chronic myelogenous leuk... | 11140732 |
| K562 | IC50 | = | 50.0 | nM | 7.3 | Cytotoxicity against human K562 cells assessed as growth inhibition after 5 days... | - |
| Tubulin beta-1 chain | IC50 | = | 11000.0 | nM | 4.96 | Concentration required for 50% inhibition of tubulin polymerization | 15658859 |
| Tubulin | IC50 | = | 16300.0 | nM | 4.79 | Effect on tubulin binding and the concentration required to cause 50% decrease i... | 11140732 |
| Tubulin | IC50 | = | 16218.1 | nM | 4.79 | Inhibition of tubulin polymerization in Homo sapiens (human) solid tumor cells | - |
| Tubulin | IC50 | = | 16300.0 | nM | 4.79 | Inhibition of tubulin polymerization (unknown origin) | - |
| Tubulin | IC50 | = | 36000.0 | nM | 4.44 | Concentration required to cause 50% decrease in the binding of [3H]colchicine fr... | 11140732 |
| Tubulin | IC50 | = | 36000.0 | nM | 4.44 | Displacement of [3H]colchicine from porcine tubulin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140732 | 10.1016/s0960-894x(00)00596-5 | K562 | 4 |
| 11140732 | 10.1016/s0960-894x(00)00596-5 | Tubulin | 2 |
| - | 10.1039/C2MD20199B | Tubulin | 2 |
| 15658859 | 10.1021/jm049444m | Tubulin beta-1 chain | 1 |
| - | 10.1007/s00044-012-0327-0 | Tubulin | 1 |
| - | 10.1039/C2MD20199B | K562 | 1 |
Data from ChEMBL 36 via Core Engine