Compound Detail
CHEMBL115078
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Basic Information
| ChEMBL ID | CHEMBL115078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNLPVNSWPNRWQU-QHCPKHFHSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
4.02
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.21
QED
0
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.12
Kd 2 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Kd | 10.4 | 10.4 | 0.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 10.12 | 6.8533 | 0.1 | 3 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 9.82 | 9.82 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.12 | 6.12 | 758.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Kd | = | 0.04 | nM | 10.4 | Binding of [3H]QNB to HM1 receptor was evaluated by saturation binding assay | 10612600 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.07586 | nM | 10.12 | Ability to displace [3H]QNB from HM2 receptor binding to acetylcholine was evalu... | 10612600 |
| Muscarinic acetylcholine receptor M2 | Kd | = | 0.15 | nM | 9.82 | Binding of [3H]QNB to HM2 receptor was evaluated by saturation binding assay | 10612600 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 562.34 | nM | 6.25 | Ability to displace [3H]QNB from HM2 receptor binding to acetylcholine was evalu... | 10612600 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 758.58 | nM | 6.12 | Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evalu... | 10612600 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 64565.42 | nM | 4.19 | Ability to displace [3H]QNB from HM2 receptor binding to acetylcholine was evalu... | 10612600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10612600 | 10.1016/s0960-894x(99)00604-6 | Muscarinic acetylcholine receptor M2 | 8 |
| 10612600 | 10.1016/s0960-894x(99)00604-6 | Muscarinic acetylcholine receptor M1 | 6 |
Data from ChEMBL 36 via Core Engine