Compound Detail
CHEMBL1412887
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COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL1412887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYFRLVLKALKQQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
3.57
ALogP
8
HBA
0
HBD
88.4
PSA (Ų)
0.21
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.59
IC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.59 | 6.59 | 257.0 | 1 |
| Galanin receptor type 3 CHEMBL2731 | IC50 | 5.88 | 5.88 | 1326.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 257.0 | nM | 6.59 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Galanin receptor type 3 | IC50 | = | 1326.0 | nM | 5.88 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
Data from ChEMBL 36 via Core Engine