Compound Detail
CHEMBL1173704
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Basic Information
| ChEMBL ID | CHEMBL1173704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWUDQSLQFQHKSV-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
4.34
ALogP
0
HBA
1
HBD
15.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 6.68 | 6.6467 | 210.0 | 3 |
| HeLa CHEMBL399 | IC50 | 5.11 | 5.035 | 7800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain AT... | 21599002 |
| Kinesin-like protein KIF11 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) exp... | 24794744 |
| Kinesin-like protein KIF11 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of human C-terminally His6-tagged microtubule-activated KSP motor dom... | 20521839 |
| HeLa | IC50 | = | 7800.0 | nM | 5.11 | Cytotoxicity against human HeLa cells after 72 hrs by MTS assay | 21599002 |
| HeLa | IC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity against human HeLa cells after 48 hrs by MTT assay | 20521839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20521839 | 10.1021/jm100476d | HeLa | 2 |
| 20521839 | 10.1021/jm100476d | Unchecked | 2 |
| 20521839 | 10.1021/jm100476d | Kinesin-like protein KIF11 | 2 |
| 24794744 | 10.1016/j.bmc.2014.04.008 | No relevant target | 2 |
| 20521839 | 10.1021/jm100476d | Kinesin-like protein KIF23 | 1 |
| 20521839 | 10.1021/jm100476d | Kinesin-like protein KIF22 | 1 |
| 20521839 | 10.1021/jm100476d | Chromosome-associated kinesin KIF4A | 1 |
| 20521839 | 10.1021/jm100476d | Centromere-associated protein E | 1 |
| 20521839 | 10.1021/jm100476d | Nucleic Acid | 1 |
| 21599002 | 10.1021/jm200448n | Kinesin-like protein KIF11 | 1 |
| 21599002 | 10.1021/jm200448n | HeLa | 1 |
| 24794744 | 10.1016/j.bmc.2014.04.008 | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine