Compound Detail
CHEMBL305905
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Basic Information
| ChEMBL ID | CHEMBL305905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOFPIRRSGDHUCZ-QUCCMNQESA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.79
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | IC50 | = | 28.0 | nM | 7.55 | In vitro inhibition of [3H]norepinephrine uptake in rat brain synaptosomes | 2903929 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 43.0 | nM | 7.37 | Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat c... | 2903929 |
| Sodium-dependent dopamine transporter | IC50 | = | 81.0 | nM | 7.09 | In vitro inhibition of [3H]dopamine uptake in rat brain synaptosomes | 2903929 |
| Adrenergic receptor alpha-1 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat corti... | 2903929 |
| D(2) dopamine receptor | IC50 | = | 410.0 | nM | 6.39 | Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal me... | 2903929 |
| Sodium-dependent serotonin transporter | IC50 | = | 610.0 | nM | 6.21 | In vitro inhibition of [3H]5-HT transporter uptake in rat brain synaptosomes | 2903929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2903929 | 10.1021/jm00120a003 | Rattus norvegicus | 4 |
| 2903929 | 10.1021/jm00120a003 | Mus musculus | 1 |
| 2903929 | 10.1021/jm00120a003 | Serotonin 2 (5-HT2) receptor | 1 |
| 2903929 | 10.1021/jm00120a003 | D(2) dopamine receptor | 1 |
| 2903929 | 10.1021/jm00120a003 | Adrenergic receptor alpha-1 | 1 |
| 2903929 | 10.1021/jm00120a003 | Norepinephrine transporter | 1 |
| 2903929 | 10.1021/jm00120a003 | Sodium-dependent dopamine transporter | 1 |
| 2903929 | 10.1021/jm00120a003 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine