Compound Detail
CHEMBL3233668
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Basic Information
| ChEMBL ID | CHEMBL3233668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILVAWRRDRHCBOI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3304237 |
| Active Moiety | CHEMBL3304237 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
4.22
ALogP
4
HBA
0
HBD
47.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.1 | 7.1 | 79.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.36 | 5.36 | 4368.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 68.0 | nM | 7.17 | Displacement of [3H]prazosin from alpha1 adrenergic receptor in rat cerebral cor... | 24691057 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 70.0 | nM | 7.16 | Displacement of [3H]-5-CT from human recombinant 5-HT7 receptor expressed in HEK... | 24691057 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 79.0 | nM | 7.1 | Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed ... | 24691057 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 4368.0 | nM | 5.36 | Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in HEK2... | 24691057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24691057 | 10.1016/j.ejmech.2014.01.065 | Adrenergic receptor alpha-1 | 1 |
| 24691057 | 10.1016/j.ejmech.2014.01.065 | 5-hydroxytryptamine receptor 1A | 1 |
| 24691057 | 10.1016/j.ejmech.2014.01.065 | 5-hydroxytryptamine receptor 6 | 1 |
| 24691057 | 10.1016/j.ejmech.2014.01.065 | 5-hydroxytryptamine receptor 7 | 1 |
| 24691057 | 10.1016/j.ejmech.2014.01.065 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine