Compound Detail
CHEMBL4441125
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Cc1ccc(-c2c(=O)n(CCCCN3CCCC(c4c[nH]c5ccccc45)C3)c(=O)n3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL4441125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNGGBRLSKHSRNY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
5.58
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.68 | 6.68 | 207.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 63.0 | nM | 7.2 | Displacement of [3H]-8-OH-DPAT from recombinant human 5HT1A receptor expressed i... | 30703658 |
| Sodium-dependent serotonin transporter | Ki | = | 207.0 | nM | 6.68 | Displacement of [3H]-citalopram from SERT in rat cortex tissue measured after 60... | 30703658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30703658 | 10.1016/j.ejmech.2019.01.031 | Sodium-dependent serotonin transporter | 1 |
| 30703658 | 10.1016/j.ejmech.2019.01.031 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine