Compound Detail
CHEMBL3233432
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Basic Information
| ChEMBL ID | CHEMBL3233432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLXKEWOEEPMPHX-PMACEKPBSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.86
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.58 | 6.58 | 262.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.28 | 6.28 | 520.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.88 | 5.88 | 1330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.89 | nM | 9.05 | Displacement of [125]DOI from human recombinant full length 5HT2A receptor expre... | 24559051 |
| D(2) dopamine receptor | Ki | = | 41.0 | nM | 7.39 | Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short re... | 24559051 |
| Alpha-1B adrenergic receptor | Ki | = | 104.0 | nM | 6.98 | Inhibition of adrenergic alpha1B receptor (unknown origin) | 24559051 |
| Alpha-1A adrenergic receptor | Ki | = | 262.0 | nM | 6.58 | Inhibition of adrenergic alpha1A receptor (unknown origin) | 24559051 |
| D(4) dopamine receptor | Ki | = | 320.0 | nM | 6.5 | Inhibition of human dopamine D4 receptor | 24559051 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 520.0 | nM | 6.28 | Displacement of [125]DOI from human recombinant full length 5HT2C receptor expre... | 24559051 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1330.0 | nM | 5.88 | Inhibition of human 5HT1A receptor | 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