Compound Detail
CHEMBL3680082
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C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C5CCOCC5)CC4)C3=O)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL3680082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOYKMWVTQGZHST-HOFKKMOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.7
MW (Da)
4.14
ALogP
5
HBA
0
HBD
39.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine receptor H3 CHEMBL5299 | Ki | 10.4 | 10.4 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine receptor H3 | Ki | = | 0.04 | nM | 10.4 | Radioligand Binding Assay: The compounds of this invention have been demonstrate... | - |
Data from ChEMBL 36 via Core Engine