Compound Detail
CHEMBL25213
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Basic Information
| ChEMBL ID | CHEMBL25213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRVOLZXRGXGYEH-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.15
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.66 | 9.66 | 0.2 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 9.59 | 9.59 | 0.3 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.57 | 8.57 | 2.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.221 | nM | 9.66 | Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus usin... | 9667967 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.221 | nM | 9.66 | Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A recept... | 9111299 |
| D(2) dopamine receptor | Ki | = | 0.259 | nM | 9.59 | Binding affinity against dopamine receptor D2 on rat striatum using [3H]spiperon... | 9667967 |
| D(2) dopamine receptor | Ki | = | 0.259 | nM | 9.59 | In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using... | 9111299 |
| Adrenergic receptor alpha-1 | Ki | = | 2.71 | nM | 8.57 | Binding affinity against alpha-1 adrenergic receptor on rat cortex using [3H]-pr... | 9667967 |
| Adrenergic receptor alpha-1 | Ki | = | 2.71 | nM | 8.57 | In vitro radioligand binding assay on adrenaline Alpha-1 adrenergic receptor of ... | 9111299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667967 | 10.1021/jm9707840 | Rattus norvegicus | 6 |
| 9667967 | 10.1021/jm9707840 | 5-hydroxytryptamine receptor 1A | 2 |
| 9667967 | 10.1021/jm9707840 | Adrenergic receptor alpha-1 | 1 |
| 9667967 | 10.1021/jm9707840 | D(2) dopamine receptor | 1 |
| 9667967 | 10.1021/jm9707840 | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
| 9667967 | 10.1021/jm9707840 | Unchecked | 1 |
| 9111299 | 10.1021/jm960760d | 5-hydroxytryptamine receptor 1A | 1 |
| 9111299 | 10.1021/jm960760d | Adrenergic receptor alpha-1 | 1 |
| 9111299 | 10.1021/jm960760d | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine