Compound Detail
CHEMBL61700
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Basic Information
| ChEMBL ID | CHEMBL61700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QELYJMWPIJVOGA-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
5.89
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 5.78 | 5.78 | 1646.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.71 | 5.71 | 1959.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 5.69 | 5.69 | 2033.9 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 5.58 | 5.58 | 2633.7 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.51 | 5.51 | 3067.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | IC50 | = | 1646.0 | nM | 5.78 | Evaluated for its binding affinity at human muscarinic receptor m2 by displaceme... | 9873472 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 1959.3 | nM | 5.71 | Evaluated for its binding affinity at human muscarinic receptor m1 by displaceme... | 9873472 |
| Muscarinic acetylcholine receptor M5 | IC50 | = | 2033.9 | nM | 5.69 | Evaluated for its binding affinity at human muscarinic receptor m5 by the displa... | 9873472 |
| Muscarinic acetylcholine receptor M4 | IC50 | = | 2633.7 | nM | 5.58 | Evaluated for its binding affinity at human muscarinic receptor m4 by the displa... | 9873472 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 3067.8 | nM | 5.51 | Evaluated for its binding affinity at human muscarinic receptor m3 by the displa... | 9873472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873472 | 10.1016/s0960-894x(98)00351-5 | Muscarinic acetylcholine receptor M1 | 1 |
| 9873472 | 10.1016/s0960-894x(98)00351-5 | Muscarinic acetylcholine receptor M2 | 1 |
| 9873472 | 10.1016/s0960-894x(98)00351-5 | Muscarinic acetylcholine receptor M3 | 1 |
| 9873472 | 10.1016/s0960-894x(98)00351-5 | Muscarinic acetylcholine receptor M4 | 1 |
| 9873472 | 10.1016/s0960-894x(98)00351-5 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine