Compound Detail
CHEMBL371816
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Basic Information
| ChEMBL ID | CHEMBL371816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXBQXYGCASROIC-LDADJPATSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
4.53
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 7.28 | 7.28 | 53.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.79 | 6.79 | 161.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.97 | 5.97 | 1060.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.86 | 5.86 | 1390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 53.0 | nM | 7.28 | Inhibitory constant against reuptake of [3H]NE at norepinephrine transporter of ... | 15863297 |
| Sodium-dependent dopamine transporter | Ki | = | 161.0 | nM | 6.79 | Inhibitory constant against reuptake of [3H]-DA at dopamine transporter of rat s... | 15863297 |
| Muscarinic acetylcholine receptor | Ki | = | 1060.0 | nM | 5.97 | Inhibition of [3H]QNB binding to muscarinic receptor of rat cortex | 15863297 |
| Sodium-dependent serotonin transporter | Ki | = | 1390.0 | nM | 5.86 | Inhibitory constant against reuptake of [3H]5-HT at serotonin transporter of rat... | 15863297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863297 | 10.1016/j.bmcl.2005.03.083 | Muscarinic acetylcholine receptor | 1 |
| 15863297 | 10.1016/j.bmcl.2005.03.083 | Sodium-dependent dopamine transporter | 1 |
| 15863297 | 10.1016/j.bmcl.2005.03.083 | Sodium-dependent serotonin transporter | 1 |
| 15863297 | 10.1016/j.bmcl.2005.03.083 | Norepinephrine transporter | 1 |
| 15863297 | 10.1016/j.bmcl.2005.03.083 | Monoamine transporters; serotonin & dopamine | 1 |
| 15863297 | 10.1016/j.bmcl.2005.03.083 | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 15863297 | 10.1016/j.bmcl.2005.03.083 | Monoamine transporters; Norepinephrine & serotonin | 1 |
Data from ChEMBL 36 via Core Engine