Compound Detail
CHEMBL4777623
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Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1
Basic Information
| ChEMBL ID | CHEMBL4777623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOGLJRVRAKONHK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
3.85
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF18A CHEMBL4523403 | IC50 | 7.85 | 7.85 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF18A | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed ... | 33214814 |
| Kinesin-like protein KIF18A | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214814 | 10.1021/acsmedchemlett.0c00470 | Kinesin-like protein KIF18A | 1 |
Data from ChEMBL 36 via Core Engine