Compound Detail
CHEMBL333343
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Basic Information
| ChEMBL ID | CHEMBL333343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUBDEKBXSIKCSA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
165.3
MW (Da)
1.88
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.39
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ryanodine receptor 2 CHEMBL4403 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ryanodine receptor 2 | EC50 | = | 100.0 | nM | 7.0 | Induction of FKBP12.6 re-binding to PKA-phosphorylated-RyR2 (unknown origin) aft... | - |
| Phenylethanolamine N-methyltransferase | Ki | = | 4100.0 | nM | 5.39 | In vitro for inhibition of Phenylethanolamine N-Methyltransferase (PNMT) | 8784452 |
| Adrenergic receptor alpha-2 | Ki | = | 4600.0 | nM | 5.34 | In vitro for binding affinity against Alpha-2 adrenergic receptor by radioligand... | 8784452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091706 | 10.1016/s0960-894x(99)00022-0 | Phenylethanolamine N-methyltransferase | 1 |
| 10091706 | 10.1016/s0960-894x(99)00022-0 | Adrenergic receptor alpha-2 | 1 |
| 8784452 | 10.1021/jm9508292 | Phenylethanolamine N-methyltransferase | 1 |
| 8784452 | 10.1021/jm9508292 | Adrenergic receptor alpha-2 | 1 |
| 8784452 | 10.1021/jm9508292 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine