Compound Detail
CHEMBL243668
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Basic Information
| ChEMBL ID | CHEMBL243668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJERYHSCLRZINL-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
298.2
MW (Da)
4.00
ALogP
1
HBA
2
HBD
55.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.22
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 8.17 | 8.0767 | 6.8 | 3 |
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 7.82 | 7.41 | 15.0 | 2 |
| HeLa CHEMBL399 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6.0 | nM | 8.22 | Inhibition of human KSP KHC-L5 mutant using varying ATP levels in presence of sa... | 17922005 |
| Kinesin-like protein KIF11 | Ki | = | 6.8 | nM | 8.17 | Inhibition of human KSP A133D mutant using varying ATP levels in presence of sat... | 17922005 |
| Kinesin-like protein KIF11 | Ki | = | 8.8 | nM | 8.06 | Inhibition of human wild type Eg5 using varying ATP levels in presence of satura... | 17922005 |
| Kinesin-like protein KIF11 | Ki | = | 10.0 | nM | 8.0 | Inhibition of human KSP D130V mutant using varying ATP levels in presence of sat... | 17922005 |
| Kinesin-like protein KIF11 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human KSP motor domain by ATPase assay | 17725339 |
| Kinesin-like protein KIF11 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain AT... | 21599002 |
| HeLa | IC50 | = | 1100.0 | nM | 5.96 | Cytotoxicity against human HeLa cells after 72 hrs by MTS assay | 21599002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17922005 | 10.1038/nchembio.2007.34 | Kinesin-like protein KIF11 | 11 |
| 17922005 | 10.1038/nchembio.2007.34 | Unchecked | 3 |
| 17725339 | 10.1021/jm070435y | Kinesin-like protein KIF11 | 1 |
| 17922005 | 10.1038/nchembio.2007.34 | Centromere-associated protein E | 1 |
| 17922005 | 10.1038/nchembio.2007.34 | Kinesin-like protein KIF1A | 1 |
| 17922005 | 10.1038/nchembio.2007.34 | Kinesin-like protein KIF23 | 1 |
| 17922005 | 10.1038/nchembio.2007.34 | Kinesin-like protein KIF6 | 1 |
| 17922005 | 10.1038/nchembio.2007.34 | Kinesin-like protein KIFC1 | 1 |
| 17922005 | 10.1038/nchembio.2007.34 | Kinesin-like protein KIF2C | 1 |
| 17922005 | 10.1038/nchembio.2007.34 | Chromosome-associated kinesin KIF4A | 1 |
| 21599002 | 10.1021/jm200448n | Kinesin-like protein KIF11 | 1 |
| 21599002 | 10.1021/jm200448n | HeLa | 1 |
Data from ChEMBL 36 via Core Engine