Compound Detail
CHEMBL3191441
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CC(C)Oc1ccc(/C=N/NC(=O)C(CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3191441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZKJKSIVYUCQBO-LQKURTRISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
4.56
ALogP
7
HBA
2
HBD
122.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mucolipin-3 CHEMBL1293243 | EC50 | 6.47 | 6.47 | 342.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mucolipin-3 | EC50 | = | 342.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
Data from ChEMBL 36 via Core Engine