Compound Detail
CHEMBL60101
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Basic Information
| ChEMBL ID | CHEMBL60101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVDFDVTZQWJMQV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
2.44
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL309 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 5.92 | 5.92 | 1210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of [3H]- Oxo-M binding at Muscarinic acetylcholine receptor M2 in rat... | 10354408 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 1210.0 | nM | 5.92 | Compound was tested for its potency at M-2 receptor by inhibiting forskolin indu... | 10354408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354408 | 10.1021/jm9910019 | Muscarinic acetylcholine receptor M2 | 3 |
| 10354408 | 10.1021/jm9910019 | Muscarinic acetylcholine receptor M1 | 2 |
| 10354408 | 10.1021/jm9910019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine