Compound Detail
CHEMBL5939100
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CC(=O)N1CCC2(CC1)CN(c1ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cc1)C2
Basic Information
| ChEMBL ID | CHEMBL5939100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGXAVABDOQOBMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
4.45
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.5 | nM | 8.19 | Biochemical ATX Assa: 5 nM recombinant ATX (Cayman Chemicals) was supplemented t... | - |
Data from ChEMBL 36 via Core Engine