Compound Detail
CHEMBL5080025
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O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(NCC2(O)CC2)nc1N1CCC2(CC1)CC2
Basic Information
| ChEMBL ID | CHEMBL5080025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOEBQZXZENBHIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
4.37
ALogP
7
HBA
3
HBD
111.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF18A CHEMBL4523403 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF18A | IC50 | = | 42.0 | nM | 7.38 | Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed ... | - |
Data from ChEMBL 36 via Core Engine