Compound Detail
CHEMBL4743868
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Basic Information
| ChEMBL ID | CHEMBL4743868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIINLBKMJGQYNO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
5.15
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.37 | 9.36 | 0.4 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.69 | 6.69 | 204.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.36 | 6.275 | 436.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.4266 | nM | 9.37 | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO... | 32883072 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.45 | nM | 9.35 | Receptor Binding Assay: 5-HT1A: Radioligand binding was performed using membrane... | - |
| Adrenergic receptor alpha-1 | Ki | = | 204.17 | nM | 6.69 | Displacement of [3H]prazosin from alpha1 adrenergic receptor in rat cortex membr... | 32883072 |
| Alpha-1A adrenergic receptor | Ki | = | 230.0 | nM | 6.64 | Radioligand Binding Assay: Alpha1-adrenergic Receptor: Radioligand binding was p... | - |
| D(2) dopamine receptor | Ki | = | 436.52 | nM | 6.36 | Displacement of [3H]methylspiperone from human D2 receptor stably expressed in C... | 32883072 |
| D(2) dopamine receptor | Ki | = | 640.0 | nM | 6.19 | Radioligand Binding Assay: D2 Dopamine Receptor:Radioligand binding was performe... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883072 | 10.1021/acs.jmedchem.0c00814 | 5-hydroxytryptamine receptor 1A | 1 |
| 32883072 | 10.1021/acs.jmedchem.0c00814 | Adrenergic receptor alpha-1 | 1 |
| 32883072 | 10.1021/acs.jmedchem.0c00814 | D(2) dopamine receptor | 1 |
| 32883072 | 10.1021/acs.jmedchem.0c00814 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine