Compound Detail
CHEMBL3233415
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CN1CCN2c3c(cccc31)[C@@H]1CN(CCc3cc4c(cc3Cl)NC(=O)C4)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3233415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTDPJMWYRGSJQU-RXVVDRJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.0
MW (Da)
3.51
ALogP
4
HBA
1
HBD
38.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]-N-methyl-citalopram from SERT in human platelets after 60 m... | 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 |
Data from ChEMBL 36 via Core Engine