Compound Detail
CHEMBL5748161
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CC(=O)N[C@H]1[C@@H]2CN(c3ccc(CNc4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)cc3)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL5748161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSZZCNFEJHLCBI-GZOXUSKESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
3.65
ALogP
7
HBA
2
HBD
92.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.8 | nM | 8.42 | Biochemical ATX Assa: 5 nM recombinant ATX (Cayman Chemicals) was supplemented t... | - |
Data from ChEMBL 36 via Core Engine