Compound Detail
CHEMBL3633533
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Basic Information
| ChEMBL ID | CHEMBL3633533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBTPZIVDBUQRSJ-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
4.53
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.34 | 5.34 | 4590.0 | 1 |
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 4590.0 | nM | 5.34 | Growth inhibition of human HCT116 cells after 72 hrs by MTS assay | 26396688 |
| Kinesin-like protein KIF11 | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of His-tagged KSP motor domain (1 to 369) (unknown origin) assessed a... | 26396688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26396688 | 10.1021/acsmedchemlett.5b00221 | Kinesin-like protein KIF11 | 1 |
| 26396688 | 10.1021/acsmedchemlett.5b00221 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine