Compound Detail
CHEMBL3196124
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CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL3196124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWEUKFQMZLSQHS-YZSQISJMSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
3.81
ALogP
7
HBA
3
HBD
120.3
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.54
IC50 3 meas. best 6.64
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 230.0 | nM | 6.64 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Unchecked | EC50 | = | 2886.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
| Unchecked | IC50 | = | 3300.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Unchecked | IC50 | = | 3370.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | EC50 | = | 75371.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
| Unchecked | EC50 | = | 85279.0 | nM | 4.07 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
Data from ChEMBL 36 via Core Engine