Compound Detail
CHEMBL1802986
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Basic Information
| ChEMBL ID | CHEMBL1802986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEQGBTJIWXDXDG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
3.73
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 7.28 | 7.28 | 52.0 | 2 |
| HeLa CHEMBL399 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain AT... | 21599002 |
| Kinesin-like protein KIF11 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) exp... | 24794744 |
| HeLa | IC50 | = | 810.0 | nM | 6.09 | Cytotoxicity against human HeLa cells after 72 hrs by MTS assay | 21599002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21599002 | 10.1021/jm200448n | Kinesin-like protein KIF11 | 2 |
| 21599002 | 10.1021/jm200448n | HeLa | 2 |
| 24794744 | 10.1016/j.bmc.2014.04.008 | No relevant target | 2 |
| 21599002 | 10.1021/jm200448n | DNA topoisomerase 1 | 1 |
| 21599002 | 10.1021/jm200448n | DNA topoisomerase 2-alpha | 1 |
| 24794744 | 10.1016/j.bmc.2014.04.008 | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine