Compound Detail
CHEMBL1481383
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CCOc1ccc(C=NNc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1OC
Basic Information
| ChEMBL ID | CHEMBL1481383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTPFJIISVDSMKY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
3.95
ALogP
9
HBA
3
HBD
169.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.46 | 5.46 | 3507.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.46 | 4.46 | 34700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 3507.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| C-C chemokine receptor type 6 | IC50 | = | 34700.0 | nM | 4.46 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine