Compound Detail
CHEMBL5188726
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CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)c(Br)c5c4CCN(C2)[C@@H]13
Basic Information
| ChEMBL ID | CHEMBL5188726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIUZJPQISPNITN-NXXNRAFRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.3
MW (Da)
4.70
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Synaptic vesicular amine transporter CHEMBL4828 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 670.0 | nM | 6.17 | Inhibition of human SERT transfected in HEK cells using APP+ as fluorescent subs... | 35707155 |
| Synaptic vesicular amine transporter | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of rat VMAT2 transfected in HEK cells using FFN206 as fluorescent sub... | 35707155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35707155 | 10.1021/acsmedchemlett.2c00214 | Sodium-dependent serotonin transporter | 1 |
| 35707155 | 10.1021/acsmedchemlett.2c00214 | Synaptic vesicular amine transporter | 1 |
Data from ChEMBL 36 via Core Engine