Compound Detail
CHEMBL1721330
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CN(C)c1ccc(C=c2c3ccccc3n3c2c2c([n+]3C)CCCC2)cc1.O=S(=O)([O-])C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1721330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOARKRWMRODJNP-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1740248 |
| Active Moiety | CHEMBL1740248 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
3.41
ALogP
2
HBA
0
HBD
11.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 5.88 | 5.88 | 1314.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.15 | 4.15 | 71101.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 1314.0 | nM | 5.88 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Unchecked | IC50 | = | 71101.0 | nM | 4.15 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine