Compound Detail
CHEMBL5080641
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CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1
Basic Information
| ChEMBL ID | CHEMBL5080641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJYSLUAMPGEBDO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
569.6
MW (Da)
4.47
ALogP
7
HBA
4
HBD
123.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF18A CHEMBL4523403 | IC50 | 7.16 | 7.085 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF18A | IC50 | = | 70.0 | nM | 7.16 | Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed ... | - |
| Kinesin-like protein KIF18A | IC50 | = | 97.0 | nM | 7.01 | Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed ... | - |
Data from ChEMBL 36 via Core Engine