Compound Detail
CHEMBL3233411
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Basic Information
| ChEMBL ID | CHEMBL3233411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FINYFOYZAZLCFE-FPOVZHCZSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
3.89
ALogP
5
HBA
0
HBD
35.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.76 | 6.76 | 174.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.54 | 6.54 | 287.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.53 | 6.53 | 294.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.5 | 6.5 | 314.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 3.3 | nM | 8.48 | Displacement of [125]DOI from human recombinant full length 5HT2A receptor expre... | 24559051 |
| D(2) dopamine receptor | Ki | = | 174.0 | nM | 6.76 | Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short re... | 24559051 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 287.0 | nM | 6.54 | Displacement of [125]DOI from human recombinant full length 5HT2C receptor expre... | 24559051 |
| Alpha-1B adrenergic receptor | Ki | = | 294.0 | nM | 6.53 | Inhibition of adrenergic alpha1B receptor (unknown origin) | 24559051 |
| Alpha-1A adrenergic receptor | Ki | = | 314.0 | nM | 6.5 | Inhibition of adrenergic alpha1A receptor (unknown origin) | 24559051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24559051 | 10.1021/jm401958n | 5-hydroxytryptamine receptor 2A | 1 |
| 24559051 | 10.1021/jm401958n | 5-hydroxytryptamine receptor 2C | 1 |
| 24559051 | 10.1021/jm401958n | D(2) dopamine receptor | 1 |
| 24559051 | 10.1021/jm401958n | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 24559051 | 10.1021/jm401958n | Unchecked | 1 |
| 24559051 | 10.1021/jm401958n | Sodium-dependent serotonin transporter | 1 |
| 24559051 | 10.1021/jm401958n | 5-hydroxytryptamine receptor 1A | 1 |
| 24559051 | 10.1021/jm401958n | Histamine H1 receptor | 1 |
| 24559051 | 10.1021/jm401958n | Alpha-1A adrenergic receptor | 1 |
| 24559051 | 10.1021/jm401958n | Alpha-1B adrenergic receptor | 1 |
| 24559051 | 10.1021/jm401958n | D(1A) dopamine receptor | 1 |
| 24559051 | 10.1021/jm401958n | D(4) dopamine receptor | 1 |
| 24559051 | 10.1021/jm401958n | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine