Compound Detail
CHEMBL3084869
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Basic Information
| ChEMBL ID | CHEMBL3084869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLMFVONYZLSMMT-TWYXQDJOSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.56
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.37
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.37 | 9.37 | 0.4 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.3 | 7.3 | 50.0 | 3 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.85 | 6.85 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.43 | nM | 9.37 | Displacement of [3H]pirenzepine binding at Muscarinic acetylcholine receptor M1 ... | 9083473 |
| Sodium-dependent dopamine transporter | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate... | 10479283 |
| Sodium-dependent dopamine transporter | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat C... | 9083473 |
| Sodium-dependent dopamine transporter | Ki | = | 50.12 | nM | 7.3 | Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radiolig... | 11063611 |
| Sodium-dependent dopamine transporter | IC50 | = | 140.0 | nM | 6.85 | Inhibition of [3H]dopamine uptake in rat caudate putamen tissue. | 10479283 |
| Sodium-dependent dopamine transporter | IC50 | = | 140.0 | nM | 6.85 | [3H]-Dopamine uptake inhibition in rat caudate putamen | 9083473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083473 | 10.1021/jm950782k | Sodium-dependent dopamine transporter | 3 |
| 10479283 | 10.1021/jm980701v | Sodium-dependent dopamine transporter | 2 |
| 9083473 | 10.1021/jm950782k | Sodium-dependent serotonin transporter | 1 |
| 9083473 | 10.1021/jm950782k | Norepinephrine transporter | 1 |
| 9083473 | 10.1021/jm950782k | Muscarinic acetylcholine receptor M1 | 1 |
| 11063611 | 10.1021/jm990472s | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine