Compound Detail
CHEMBL4746340
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1
Basic Information
| ChEMBL ID | CHEMBL4746340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFXWMPFCFUDTPD-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
4.17
ALogP
7
HBA
3
HBD
120.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF18A CHEMBL4523403 | IC50 | 7.8 | 7.8 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF18A | IC50 | = | 16.0 | nM | 7.8 | Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed ... | 33214814 |
| Kinesin-like protein KIF18A | IC50 | = | 16.0 | nM | 7.8 | 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