Compound Detail
CHEMBL1380444
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CC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL1380444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMSMRYHEBKHZRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
561.7
MW (Da)
3.55
ALogP
6
HBA
1
HBD
113.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.09 | 6.09 | 804.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.75 | 4.75 | 17617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 804.68 | nM | 6.09 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| Unchecked | IC50 | = | 17617.0 | nM | 4.75 | PubChem BioAssay. Fluorescence-based biochemical primary high throughput dose re... | - |
Data from ChEMBL 36 via Core Engine