Compound Detail
CHEMBL1743783
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Basic Information
| ChEMBL ID | CHEMBL1743783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRHMJMAHEBGHTD-CJRXIRLBSA-N |
| Parent Compound | CHEMBL36403 |
| Active Moiety | CHEMBL36403 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.99
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.79 | 6.79 | 164.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 29.0 | nM | 7.54 | Binding affinity towards alpha-1 adrenergic receptor | 3039136 |
| Sodium-dependent serotonin transporter | Ki | = | 100.0 | nM | 7.0 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 3039136 |
| Norepinephrine transporter | Ki | = | 164.0 | nM | 6.79 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3039136 | 10.1021/jm00391a028 | Mus musculus | 3 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent dopamine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Norepinephrine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent serotonin transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | D(2) dopamine receptor | 1 |
| 3039136 | 10.1021/jm00391a028 | Adrenergic receptor alpha-1 | 1 |
| 3039136 | 10.1021/jm00391a028 | Serotonin 1 (5-HT1) receptor | 1 |
| 3039136 | 10.1021/jm00391a028 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine