Compound Detail
CHEMBL154488
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Basic Information
| ChEMBL ID | CHEMBL154488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFXZWVUZIPQSKX-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
2.91
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 4.8 | 4.6 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor... | 8558529 |
| Adrenergic receptor alpha-1 | IC50 | = | 510.0 | nM | 6.29 | Inhibitory activity against [3H]WB-4101 binding to Alpha-1 adrenergic receptor i... | 8558529 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synapt... | 8558529 |
| Muscarinic acetylcholine receptor | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membr... | 8558529 |
| Muscarinic acetylcholine receptor | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membr... | 8558529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558529 | 10.1021/jm9506433 | Mus musculus | 5 |
| 8558529 | 10.1021/jm9506433 | Muscarinic acetylcholine receptor | 3 |
| 8558529 | 10.1021/jm9506433 | Acetylcholinesterase | 1 |
| 8558529 | 10.1021/jm9506433 | Sodium-dependent noradrenaline transporter | 1 |
| 8558529 | 10.1021/jm9506433 | Adrenergic receptor alpha-2 | 1 |
| 8558529 | 10.1021/jm9506433 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine