Compound Detail
CHEMBL136475
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Basic Information
| ChEMBL ID | CHEMBL136475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJOCLAIPXOCSLQ-JTQLQIEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.1
MW (Da)
2.43
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 6.33 | 6.33 | 470.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 470.0 | nM | 6.33 | In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase). | 10543879 |
| Adrenergic receptor alpha-2 | Ki | = | 17000.0 | nM | 4.77 | In vitro inhibition of [3H]clonidine binding at the alpha-2 adrenergic receptor. | 10543879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543879 | 10.1021/jm990086a | Phenylethanolamine N-methyltransferase | 1 |
| 10543879 | 10.1021/jm990086a | Adrenergic receptor alpha-2 | 1 |
| 10543879 | 10.1021/jm990086a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine