Compound Detail
CHEMBL154257
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL154257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFZMRCICMFOMSN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.92
ALogP
4
HBA
0
HBD
38.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.57 | 5.055 | 2700.0 | 2 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membr... | 8558529 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 3300.0 | nM | 5.48 | Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synapt... | 8558529 |
| Muscarinic acetylcholine receptor | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membr... | 8558529 |
| Acetylcholinesterase | IC50 | = | 58000.0 | nM | 4.24 | Inhibitory activity against acetylcholinesterase in rat striatal preparation | 8558529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558529 | 10.1021/jm9506433 | Muscarinic acetylcholine receptor | 3 |
| 8558529 | 10.1021/jm9506433 | Mus musculus | 3 |
| 8558529 | 10.1021/jm9506433 | Acetylcholinesterase | 1 |
| 8558529 | 10.1021/jm9506433 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine