Compound Detail
CHEMBL398043
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 | CHEMBL398043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPJDCNFZODNKEM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185211 |
| Active Moiety | CHEMBL1185211 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
0.64
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.27 | 6.27 | 537.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.26 | 6.26 | 544.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.1 | 6.1 | 792.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.09 | 6.09 | 819.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 40.0 | nM | 7.4 | Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 537.0 | nM | 6.27 | Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 544.0 | nM | 6.26 | Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 792.0 | nM | 6.1 | Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 819.0 | nM | 6.09 | Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells | 17889543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17889543 | 10.1016/j.bmc.2007.09.003 | Unchecked | 4 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M3 | 3 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M1 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M2 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M4 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine