Compound Detail
CHEMBL1352434
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CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
Basic Information
| ChEMBL ID | CHEMBL1352434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIDMMGVBIKMQRL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
4.42
ALogP
7
HBA
1
HBD
104.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.87 | 5.61 | 1340.0 | 2 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.01 | 5.01 | 9733.0 | 1 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | IC50 | 4.67 | 4.67 | 21180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1340.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 4510.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Signal transducer and activator of transcription 3 | IC50 | = | 9733.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response counterscreen for STAT1 inhibitors: cell-based h... | - |
| Signal transducer and activator of transcription 1-alpha/beta | IC50 | = | 21180.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT1 inhibition. (C... | - |
Data from ChEMBL 36 via Core Engine