Compound Detail
CHEMBL1437030
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COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1OC
Basic Information
| ChEMBL ID | CHEMBL1437030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPTLBORUSUHUOA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
2.18
ALogP
8
HBA
0
HBD
105.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.38 | 6.38 | 419.4 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.69 | 5.69 | 2048.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 419.43 | nM | 6.38 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| COUP transcription factor 2 | IC50 | = | 2048.0 | nM | 5.69 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine