Compound Detail
CHEMBL1743785
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Basic Information
| ChEMBL ID | CHEMBL1743785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMTFVXWUQNYZCZ-CJRXIRLBSA-N |
| Parent Compound | CHEMBL36570 |
| Active Moiety | CHEMBL36570 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
3.67
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 9.13 | 9.13 | 0.7 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.6 | 6.6 | 252.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 0.74 | nM | 9.13 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
| Sodium-dependent serotonin transporter | Ki | = | 3.2 | nM | 8.49 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 3039136 |
| Sodium-dependent dopamine transporter | Ki | = | 5.1 | nM | 8.29 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
| Adrenergic receptor alpha-1 | Ki | = | 252.0 | nM | 6.6 | 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 |
Data from ChEMBL 36 via Core Engine