Compound Detail
CHEMBL231939
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Basic Information
| ChEMBL ID | CHEMBL231939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNTWBBGJJCVNIX-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.14
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.3 | 4.3 | 49700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 14800.0 | nM | 4.83 | Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay | 17524640 |
| HeLa | IC50 | = | 49700.0 | nM | 4.3 | Cytotoxic activity against HeLa cells | 17524640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17524640 | 10.1016/j.bmcl.2007.04.101 | HeLa | 2 |
| 17524640 | 10.1016/j.bmcl.2007.04.101 | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine