Compound Detail
CHEMBL1202786
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Basic Information
| ChEMBL ID | CHEMBL1202786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBLORFBKJZVJJO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL60329 |
| Active Moiety | CHEMBL60329 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
611.0
MW (Da)
8.00
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
31
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 7.71 | 7.71 | 19.5 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Kd | 5.73 | 5.61 | 1862.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Kd | = | 19.5 | nM | 7.71 | Compound was evaluated for blocking activity on Muscarinic acetylcholine recepto... | 3806594 |
| Muscarinic acetylcholine receptor | Kd | = | 1862.09 | nM | 5.73 | Compound was evaluated for blocking activity on Muscarinic acetylcholine recepto... | 3806594 |
| Muscarinic acetylcholine receptor | Kd | = | 3235.94 | nM | 5.49 | 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