Compound Detail
CHEMBL3680069
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CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(N4CC[C@H](N5CCCC5)C4)cc3F)C2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL3680069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UADXMEPSNMRPAA-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.7
MW (Da)
4.64
ALogP
5
HBA
0
HBD
56.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine receptor H3 CHEMBL5299 | Ki | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine receptor H3 | Ki | = | 0.03 | nM | 10.52 | Radioligand Binding Assay: The compounds of this invention have been demonstrate... | - |
Data from ChEMBL 36 via Core Engine