Compound Detail
CHEMBL1516758
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CCN1C(=O)/C(=C/C=C2\N(CC)c3cc(S(=O)(=O)N(C)C)ccc3N2c2ccccc2)SC1=S
Basic Information
| ChEMBL ID | CHEMBL1516758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEMJPHUTAPBUOS-BILXGNRESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.7
MW (Da)
4.52
ALogP
7
HBA
0
HBD
64.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ion channel NompC CHEMBL1293245 | EC50 | 5.79 | 5.79 | 1620.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.18 | 5.18 | 6670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ion channel NompC | EC50 | = | 1620.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Unchecked | EC50 | = | 6670.0 | nM | 5.18 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
Data from ChEMBL 36 via Core Engine