Compound Detail
CHEMBL1203891
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Basic Information
| ChEMBL ID | CHEMBL1203891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLUYOXXDJBXFIO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL368187 |
| Active Moiety | CHEMBL368187 |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
3.93
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.05 | 7.825 | 9.0 | 2 |
| Adrenergic receptor beta CHEMBL2095166 | IC50 | 7.72 | 7.62 | 19.0 | 2 |
| Dopamine receptor CHEMBL2093868 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.21 | 5.965 | 610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 9.0 | nM | 8.05 | Effect on synaptosomal uptake inhibition of Dopamine transporter | 6134833 |
| Adrenergic receptor beta | IC50 | = | 19.0 | nM | 7.72 | Effect on synaptosomal uptake inhibition of Noradrenaline (NA) | 6134833 |
| Sodium-dependent dopamine transporter | IC50 | = | 25.0 | nM | 7.6 | Effect on synaptosomal uptake inhibition of Dopamine transporter | 6134833 |
| Adrenergic receptor beta | IC50 | = | 30.0 | nM | 7.52 | Effect on synaptosomal uptake inhibition of Noradrenaline (NA) | 6134833 |
| Dopamine receptor | IC50 | = | 48.0 | nM | 7.32 | Ability to displace [3H]haloperidol from rat striatal membranes, in order to mea... | 6134833 |
| Sodium-dependent serotonin transporter | IC50 | = | 610.0 | nM | 6.21 | Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT) | 6134833 |
| Sodium-dependent serotonin transporter | IC50 | = | 1900.0 | nM | 5.72 | Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT) | 6134833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6134833 | 10.1021/jm00361a002 | Rattus norvegicus | 4 |
| 6134833 | 10.1021/jm00361a002 | Mus musculus | 2 |
| 6134833 | 10.1021/jm00361a002 | Dopamine receptor | 2 |
| 6134833 | 10.1021/jm00361a002 | Sodium-dependent dopamine transporter | 2 |
| 6134833 | 10.1021/jm00361a002 | Adrenergic receptor beta | 2 |
| 6134833 | 10.1021/jm00361a002 | Sodium-dependent serotonin transporter | 2 |
Data from ChEMBL 36 via Core Engine