Compound Detail
CHEMBL2335158
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Basic Information
| ChEMBL ID | CHEMBL2335158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LISGMSBYRAXPJH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
231.1
MW (Da)
2.40
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 7.07 | 7.07 | 85.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.5 | 4.5 | 31622.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 85.11 | nM | 7.07 | Displacement of [3H]dihydroalprenolol from human wild type beta1 adrenergic rece... | 23517028 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 7943.28 | nM | 5.1 | Displacement of [3H]-NMS from recombinant muscarinic M3 receptor (unknown origin... | 23517028 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 7943.28 | nM | 5.1 | Displacement of [3H]-NMS from recombinant muscarinic M2 receptor (unknown origin... | 23517028 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 7943.28 | nM | 5.1 | Displacement of [3H]-NMS from recombinant muscarinic M1 receptor (unknown origin... | 23517028 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 31622.78 | nM | 4.5 | Displacement of [3H]-NMS from recombinant muscarinic M4 receptor (unknown origin... | 23517028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M4 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M3 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M2 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M1 | 2 |
| 23517028 | 10.1021/jm400140q | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine