Compound Detail
CHEMBL293700
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Basic Information
| ChEMBL ID | CHEMBL293700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNUCRXHRBPLYTA-SECBINFHSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
0.60
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 6.62 | 6.62 | 240.0 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.42 | 4.42 | 38000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phenylethanolamine N-methyltransferase | Ki | = | 240.0 | nM | 6.62 | Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase | 10354406 |
| Phenylethanolamine N-methyltransferase | Ki | = | 240.0 | nM | 6.62 | In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase). | 10543879 |
| Adrenergic receptor alpha-2 | Ki | = | 38000.0 | nM | 4.42 | Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat cortical m... | 10354406 |
| Adrenergic receptor alpha-2 | Ki | = | 38000.0 | nM | 4.42 | In vitro inhibition of [3H]clonidine binding at the alpha-2 adrenergic receptor. | 10543879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354406 | 10.1021/jm9807252 | Phenylethanolamine N-methyltransferase | 2 |
| 10354406 | 10.1021/jm9807252 | Adrenergic receptor alpha-2 | 2 |
| 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 |
| 10354406 | 10.1021/jm9807252 | Unchecked | 1 |
| 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