Compound Detail
CHEMBL1645556
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Basic Information
| ChEMBL ID | CHEMBL1645556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGPFOUIIDLPYMJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.36
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 6.17 | 6.17 | 684.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 684.0 | nM | 6.17 | Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus... | 21183355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21183355 | 10.1016/j.bmc.2010.11.041 | Amine oxidase [flavin-containing] A | 1 |
| 21183355 | 10.1016/j.bmc.2010.11.041 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine