Compound Detail
CHEMBL300987
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Basic Information
| ChEMBL ID | CHEMBL300987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHBJXFJNSKBBLY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
4.11
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 5.52 | 5.52 | 3002.9 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 5.22 | 5.22 | 6027.8 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 5.09 | 5.09 | 8211.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.04 | 5.04 | 9017.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 4.97 | 4.97 | 10804.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | IC50 | = | 3002.9 | nM | 5.52 | Evaluated for its binding affinity at human muscarinic receptor m2 by displaceme... | 9873472 |
| Muscarinic acetylcholine receptor M4 | IC50 | = | 6027.8 | nM | 5.22 | Evaluated for its binding affinity at human muscarinic receptor m4 by the displa... | 9873472 |
| Muscarinic acetylcholine receptor M5 | IC50 | = | 8211.3 | nM | 5.09 | Evaluated for its binding affinity at human muscarinic receptor m5 by the displa... | 9873472 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 9017.8 | nM | 5.04 | Evaluated for its binding affinity at human muscarinic receptor m1 by displaceme... | 9873472 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 10804.1 | nM | 4.97 | 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