Compound Detail
CHEMBL1203860
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Basic Information
| ChEMBL ID | CHEMBL1203860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTPPARCIMAJCLR-RDRKJGRWSA-N |
| Parent Compound | CHEMBL172816 |
| Active Moiety | CHEMBL172816 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
5.87
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.8 | 6.6 | 160.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.68 | 6.575 | 210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 160.0 | nM | 6.8 | Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT) | 6134833 |
| Sodium-dependent dopamine transporter | IC50 | = | 210.0 | nM | 6.68 | Effect on synaptosomal uptake inhibition of Dopamine transporter | 6134833 |
| Sodium-dependent dopamine transporter | IC50 | = | 340.0 | nM | 6.47 | Effect on synaptosomal uptake inhibition of Dopamine transporter | 6134833 |
| Sodium-dependent serotonin transporter | IC50 | = | 400.0 | nM | 6.4 | 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