Compound Detail
CHEMBL400633
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Basic Information
| ChEMBL ID | CHEMBL400633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JINSIHHRPCXDRA-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.22
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 320.0 | nM | 6.5 | Cytotoxic activity against HeLa cells | 17524640 |
| Kinesin-like protein KIF11 | IC50 | = | 680.0 | nM | 6.17 | Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay | 17524640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17524640 | 10.1016/j.bmcl.2007.04.101 | Kinesin-like protein KIF11 | 2 |
| 17524640 | 10.1016/j.bmcl.2007.04.101 | HeLa | 2 |
| 17524640 | 10.1016/j.bmcl.2007.04.101 | Unchecked | 1 |
| 17524640 | 10.1016/j.bmcl.2007.04.101 | Kinesin-like protein KIF23 | 1 |
| 17524640 | 10.1016/j.bmcl.2007.04.101 | Chromosome-associated kinesin KIF4A | 1 |
| 17524640 | 10.1016/j.bmcl.2007.04.101 | Centromere-associated protein E | 1 |
Data from ChEMBL 36 via Core Engine