Compound Detail
CHEMBL5995109
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOc1cc(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(S(N)(=O)=O)cc4)C[C@H]3C2)nc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL5995109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBEPUZCVBUMGLR-ROUUACIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
2.13
ALogP
6
HBA
1
HBD
122.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.93 | 6.93 | 118.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 118.0 | nM | 6.93 | Enzyme Inhibition Assay: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 ... | - |
Data from ChEMBL 36 via Core Engine