Compound Detail
CHEMBL113195
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Basic Information
| ChEMBL ID | CHEMBL113195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRKFYDQWSIYFGJ-YSFGRKDWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.67
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.5 | 7.5 | 31.3 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.19 | 5.19 | 6390.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 4.93 | 4.93 | 11700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 of rat... | 15149693 |
| Sodium-dependent dopamine transporter | Ki | = | 31.3 | nM | 7.5 | Displacement of [3H]WIN-35428 from dopamine transporter of rat brain membrane | 15149693 |
| Norepinephrine transporter | Ki | = | 6390.0 | nM | 5.19 | Displacement of [3H]-nisoxatine from norepinephrine transporter of rat brain mem... | 15149693 |
| Sodium-dependent serotonin transporter | Ki | = | 11700.0 | nM | 4.93 | Displacement of [3H]-citalopram from serotonin transporter of rat brain membrane | 15149693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149693 | 10.1016/j.bmcl.2004.03.075 | Sodium-dependent dopamine transporter | 1 |
| 15149693 | 10.1016/j.bmcl.2004.03.075 | Sodium-dependent serotonin transporter | 1 |
| 15149693 | 10.1016/j.bmcl.2004.03.075 | Norepinephrine transporter | 1 |
| 15149693 | 10.1016/j.bmcl.2004.03.075 | Muscarinic acetylcholine receptor M1 | 1 |
| 15149693 | 10.1016/j.bmcl.2004.03.075 | Monoamine transporters; serotonin & dopamine | 1 |
| 15149693 | 10.1016/j.bmcl.2004.03.075 | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 15149693 | 10.1016/j.bmcl.2004.03.075 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine