Compound Detail
CHEMBL1202787
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Basic Information
| ChEMBL ID | CHEMBL1202787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NILYWKKWJGDZMB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL60414 |
| Active Moiety | CHEMBL60414 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
583.9
MW (Da)
6.42
ALogP
7
HBA
4
HBD
83.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 7.8 | 7.8 | 15.8 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Kd | 5.63 | 5.5 | 2344.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Kd | = | 15.85 | nM | 7.8 | Compound was evaluated for blocking activity on Muscarinic acetylcholine recepto... | 3806594 |
| Muscarinic acetylcholine receptor | Kd | = | 2344.23 | nM | 5.63 | Compound was evaluated for blocking activity on Muscarinic acetylcholine recepto... | 3806594 |
| Muscarinic acetylcholine receptor | Kd | = | 4265.8 | nM | 5.37 | Compound was evaluated for blocking activity on Muscarinic acetylcholine recepto... | 3806594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806594 | 10.1021/jm00384a034 | Muscarinic acetylcholine receptor | 3 |
| 3806594 | 10.1021/jm00384a034 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine