Compound Detail
CHEMBL1803017
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Basic Information
| ChEMBL ID | CHEMBL1803017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWEBYTUDKRLSAX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.2
MW (Da)
3.83
ALogP
1
HBA
3
HBD
70.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain AT... | 21599002 |
| HeLa | IC50 | = | 380.0 | nM | 6.42 | Cytotoxicity against human HeLa cells after 72 hrs by MTS assay | 21599002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21599002 | 10.1021/jm200448n | HeLa | 3 |
| 21599002 | 10.1021/jm200448n | Kinesin-like protein KIF11 | 1 |
| 21599002 | 10.1021/jm200448n | Centromere-associated protein E | 1 |
| 21599002 | 10.1021/jm200448n | Kinesin-like protein KIF22 | 1 |
| 21599002 | 10.1021/jm200448n | Kinesin-like protein KIF23 | 1 |
| 21599002 | 10.1021/jm200448n | Chromosome-associated kinesin KIF4A | 1 |
Data from ChEMBL 36 via Core Engine