Compound Detail
CHEMBL487558
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O=C(c1cccc(Cl)c1)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL487558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATABUFAIIIFSIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
4.58
ALogP
4
HBA
1
HBD
61.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 5.15 | 5.15 | 7110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 7110.0 | nM | 5.15 | Agonist activity at muscarinic M1 receptor | 18829311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18829311 | 10.1016/j.bmcl.2008.09.032 | Muscarinic acetylcholine receptor M1 | 2 |
| 18829311 | 10.1016/j.bmcl.2008.09.032 | Muscarinic acetylcholine receptor M2 | 1 |
| 18829311 | 10.1016/j.bmcl.2008.09.032 | Muscarinic acetylcholine receptor M3 | 1 |
| 18829311 | 10.1016/j.bmcl.2008.09.032 | Muscarinic acetylcholine receptor M4 | 1 |
| 18829311 | 10.1016/j.bmcl.2008.09.032 | Muscarinic acetylcholine receptor M5 | 1 |
| 18829311 | 10.1016/j.bmcl.2008.09.032 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine