Compound Detail
CHEMBL243669
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Basic Information
| ChEMBL ID | CHEMBL243669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWFNIZQJNQOVRR-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
3.13
ALogP
2
HBA
2
HBD
72.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.51
Ki 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 8.51 | 7.52 | 3.1 | 2 |
| Kinesin-like protein KIF11 CHEMBL4581 | Ki | 8.46 | 8.34 | 3.5 | 2 |
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 3.1 | nM | 8.51 | Antiproliferative activity against human HCT116 with KSP D130V mutant after 72 h... | 17725339 |
| Kinesin-like protein KIF11 | Ki | = | 3.5 | nM | 8.46 | Inhibition of human KSP motor domain by ATPase assay | 17725339 |
| Kinesin-like protein KIF11 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human KSP motor domain by ATPase assay | 17725339 |
| Kinesin-like protein KIF11 | Ki | = | 6.0 | nM | 8.22 | Inhibition of KSP D130V mutant by ATPase assay | 17725339 |
| HCT-116 | IC50 | = | 294.0 | nM | 6.53 | Antiproliferative activity against human HCT116 cells after 72 hrs | 17725339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17725339 | 10.1021/jm070435y | Kinesin-like protein KIF11 | 3 |
| 17725339 | 10.1021/jm070435y | HCT-116 | 2 |
Data from ChEMBL 36 via Core Engine