Compound Detail
CHEMBL3087955
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
O=C(O[C@H]1C[N+]2(Cc3ccn(-c4ccccc4)n3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
Basic Information
| ChEMBL ID | CHEMBL3087955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUDARXCDKYQQGY-RZXUQNCUSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
5.75
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 103.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | IC50 | = | 0.3981 | nM | 9.4 | Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 c... | 24144851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24144851 | 10.1016/j.bmcl.2013.09.092 | Liver microsome | 1 |
| 24144851 | 10.1016/j.bmcl.2013.09.092 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine