Compound Detail
CHEMBL5930964
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CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4cc(C#N)cc(OC(F)(F)F)c4)nn3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5930964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNJSMIMGKPWOOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
4.11
ALogP
8
HBA
1
HBD
103.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 5.0 | nM | 8.3 | Biochemical ATX Assay (Assay A): 5 nM recombinant ATX (Cayman Chemicals) was sup... | - |
Data from ChEMBL 36 via Core Engine