Compound Detail
CHEMBL4776977
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O=C(Nc1cccc(N2CCC(F)(F)CC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
Basic Information
| ChEMBL ID | CHEMBL4776977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGTYNSXJARXMJJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
4.29
ALogP
6
HBA
3
HBD
102.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF18A CHEMBL4523403 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF18A | IC50 | = | 12.0 | nM | 7.92 | Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed ... | 34055211 |
| Kinesin-like protein KIF18A | IC50 | = | 12.0 | nM | 7.92 | Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34055211 | 10.1021/acsmedchemlett.1c00206 | Kinesin-like protein KIF18A | 1 |
Data from ChEMBL 36 via Core Engine