Compound Detail
CHEMBL5960478
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CC(C)(C)C(=O)Nc1cc(C#N)ccc1COC(=O)N1C[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)nc3)C[C@H]2C1
Basic Information
| ChEMBL ID | CHEMBL5960478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTYWGZMSAQDXOJ-PMACEKPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
554.6
MW (Da)
1.93
ALogP
8
HBA
2
HBD
175.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Enzyme Inhibition Assay: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 ... | - |
Data from ChEMBL 36 via Core Engine