Compound Detail
CHEMBL336449
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Basic Information
| ChEMBL ID | CHEMBL336449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZGXRPGQPAPARK-VHSXEESVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
2.85
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.65 | nM | 9.19 | In vitro inhibition of [3H]Oxo-Mas binding to M1 and M4 receptors in rat brain h... | 9784113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784113 | 10.1021/jm981048e | Mus musculus | 3 |
| 9784113 | 10.1021/jm981048e | Rattus norvegicus | 2 |
| 9784113 | 10.1021/jm981048e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine