Compound Detail
CHEMBL3233409
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Basic Information
| ChEMBL ID | CHEMBL3233409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQQJXCPFCHRCKP-SFTDATJTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.72
ALogP
4
HBA
0
HBD
18.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.67 | 6.67 | 213.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.59 | 6.59 | 259.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.4 | nM | 8.62 | Displacement of [125]DOI from human recombinant full length 5HT2A receptor expre... | 24559051 |
| Sodium-dependent serotonin transporter | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]-N-methyl-citalopram from SERT in human platelets after 60 m... | 24559051 |
| D(2) dopamine receptor | Ki | = | 213.0 | nM | 6.67 | Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short re... | 24559051 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 259.0 | nM | 6.59 | Displacement of [125]DOI from human recombinant full length 5HT2C receptor expre... | 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 | Sodium-dependent serotonin transporter | 1 |
| 24559051 | 10.1021/jm401958n | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine