Compound Detail
CHEMBL5941654
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CC(=O)N1CC2CCC(C1)N2c1ccc(CNc2ccc(OCc3ccc(C(F)(F)F)nc3)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL5941654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQHFXHBCUUQMDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
4.28
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.4 | nM | 8.62 | Biochemical ATX Assa: 5 nM recombinant ATX (Cayman Chemicals) was supplemented t... | - |
Data from ChEMBL 36 via Core Engine