Compound Detail
CHEMBL2112508
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Basic Information
| ChEMBL ID | CHEMBL2112508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNAOGECRNHWQIQ-OMYXNUHHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
4.10
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.24 | 7.24 | 57.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.37 | 6.37 | 432.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.16 | 5.16 | 6910.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 57.1 | nM | 7.24 | Displacement of [3H]WIN-35428 from dopamine transporter of rat brain membrane | 15149693 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 432.0 | nM | 6.37 | Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 of rat... | 15149693 |
| Norepinephrine transporter | Ki | = | 6910.0 | nM | 5.16 | Displacement of [3H]-nisoxatine from norepinephrine transporter of rat brain mem... | 15149693 |
| Sodium-dependent serotonin transporter | Ki | = | 16500.0 | nM | 4.78 | 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