Compound Detail
CHEMBL345607
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Basic Information
| ChEMBL ID | CHEMBL345607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFLCTSVVOXXGMD-WLHGVMLRSA-N |
| Parent Compound | CHEMBL1184347 |
| Active Moiety | CHEMBL1184347 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
4.06
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.09 | 4.895 | 8200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synapt... | 8558529 |
| Muscarinic acetylcholine receptor | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membr... | 8558529 |
| Muscarinic acetylcholine receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membr... | 8558529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558529 | 10.1021/jm9506433 | Muscarinic acetylcholine receptor | 3 |
| 8558529 | 10.1021/jm9506433 | Mus musculus | 2 |
| 8558529 | 10.1021/jm9506433 | Acetylcholinesterase | 1 |
| 8558529 | 10.1021/jm9506433 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine