Compound Detail
CHEMBL5090438
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Cc1ccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)cc1S(=O)(=O)C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL5090438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBQDQPQACQSVMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
4.92
ALogP
7
HBA
3
HBD
111.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF18A CHEMBL4523403 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF18A | IC50 | = | 55.0 | nM | 7.26 | Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed ... | - |
Data from ChEMBL 36 via Core Engine