Compound Detail
CHEMBL1743798
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Basic Information
| ChEMBL ID | CHEMBL1743798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAYLKRBQIMAWAT-CJRXIRLBSA-N |
| Parent Compound | CHEMBL287332 |
| Active Moiety | CHEMBL287332 |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
4.25
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 9.26 | 9.26 | 0.6 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.13 | 8.13 | 7.4 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.11 | 8.11 | 7.7 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.74 | 6.74 | 183.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.62 | 6.62 | 241.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.27 | 6.27 | 536.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 0.55 | nM | 9.26 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
| Sodium-dependent serotonin transporter | Ki | = | 4.4 | nM | 8.36 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 3039136 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 7.4 | nM | 8.13 | Binding affinity towards 5-hydroxytryptamine 2 receptor | 3039136 |
| Sodium-dependent dopamine transporter | Ki | = | 7.7 | nM | 8.11 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
| D(1A) dopamine receptor | Ki | = | 183.0 | nM | 6.74 | Binding affinity towards Dopamine receptor D1 | 3039136 |
| D(2) dopamine receptor | Ki | = | 241.0 | nM | 6.62 | Binding affinity towards Dopamine receptor D2 | 3039136 |
| Adrenergic receptor alpha-1 | Ki | = | 536.0 | nM | 6.27 | Binding affinity towards alpha-1 adrenergic receptor | 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(1A) dopamine receptor | 1 |
| 3039136 | 10.1021/jm00391a028 | D(2) dopamine receptor | 1 |
| 3039136 | 10.1021/jm00391a028 | Adrenergic receptor alpha-1 | 1 |
| 3039136 | 10.1021/jm00391a028 | Adrenergic receptor alpha-2 | 1 |
| 3039136 | 10.1021/jm00391a028 | Muscarinic acetylcholine receptor | 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