Compound Detail
CHEMBL1322645
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COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(C(F)(F)F)c2)=N[C@H]1c1cccc(F)c1
Basic Information
| ChEMBL ID | CHEMBL1322645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REABKVXDQCTQIX-VWLOTQADSA-N |
5
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
5.99
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 5.31
IC50 5 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.73 | 5.73 | 1854.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.31 | 5.295 | 4900.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.28 | 5.085 | 5300.0 | 4 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 5.01 | 5.01 | 9709.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.95 | 4.95 | 11264.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.48 | 4.3333 | 33310.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine