Compound Detail
CHEMBL3288973
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Basic Information
| ChEMBL ID | CHEMBL3288973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWKSMUGLLMMCKF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
4.33
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) exp... | 24794744 |
| A549 | IC50 | = | 4200.0 | nM | 5.38 | Antiproliferative activity against human A549 cells assessed as growth inhibitio... | 24794744 |
| HCT-116 | IC50 | = | 8900.0 | nM | 5.05 | Antiproliferative activity against human HCT116 cells assessed as growth inhibit... | 24794744 |
| MCF7 | IC50 | = | 11000.0 | nM | 4.96 | Antiproliferative activity against human MCF7 cells assessed as growth inhibitio... | 24794744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24794744 | 10.1016/j.bmc.2014.04.008 | No relevant target | 3 |
| 24794744 | 10.1016/j.bmc.2014.04.008 | Kinesin-like protein KIF11 | 1 |
| 24794744 | 10.1016/j.bmc.2014.04.008 | A549 | 1 |
| 24794744 | 10.1016/j.bmc.2014.04.008 | HCT-116 | 1 |
| 24794744 | 10.1016/j.bmc.2014.04.008 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine