Compound Detail
CHEMBL19969
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Basic Information
| ChEMBL ID | CHEMBL19969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQEUFEKYXDPUSK-SSDOTTSWSA-N |
1
Targets
9
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
121.2
MW (Da)
1.71
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 100000.0 | nM | 4.0 | Competitive inhibition of Bovine liver Monoamine Oxidase B at 30 degree C (pH= 9... | 3397993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3397993 | 10.1021/jm00403a012 | Amine oxidase [flavin-containing] B | 2 |
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Phenylethanolamine N-methyltransferase | 2 |
| 19345586 | 10.1016/j.bmc.2009.03.025 | Glutamate NMDA receptor | 2 |
| 7143366 | 10.1021/jm00352a031 | Phenylethanolamine N-methyltransferase | 1 |
| 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 |
| 11412985 | 10.1016/s0960-894x(01)00245-1 | Unchecked | 1 |
| 7143356 | 10.1021/jm00352a020 | Phenylethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine