Compound Detail
CHEMBL59939
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Basic Information
| ChEMBL ID | CHEMBL59939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFROMQQFSYBIHZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
3.72
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 6.3 | 6.3 | 501.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.47 | 5.47 | 3394.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.42 | 5.42 | 3788.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 5.39 | 5.39 | 4093.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 4.88 | 4.88 | 13138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | IC50 | = | 501.0 | nM | 6.3 | Evaluated for its binding affinity at human muscarinic receptor m4 by the displa... | 9873472 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 3394.0 | nM | 5.47 | Evaluated for its binding affinity at human muscarinic receptor m3 by the displa... | 9873472 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 3788.0 | nM | 5.42 | Evaluated for its binding affinity at human muscarinic receptor m1 by displaceme... | 9873472 |
| Muscarinic acetylcholine receptor M5 | IC50 | = | 4093.0 | nM | 5.39 | Evaluated for its binding affinity at human muscarinic receptor m5 by the displa... | 9873472 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 13138.0 | nM | 4.88 | Evaluated for its binding affinity at human muscarinic receptor m2 by displaceme... | 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