Compound Detail
CHEMBL5894127
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O=C(OCc1cc(Cl)cc(Cl)c1)N1C[C@@H]2CN(C(=O)c3ccc(O)cc3)C[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL5894127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTGZMJOXBTUBFD-IYBDPMFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.3
MW (Da)
4.04
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 444.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 444.0 | nM | 6.35 | Enzyme Inhibition Assay: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 ... | - |
Data from ChEMBL 36 via Core Engine