Compound Detail
CHEMBL4289477
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Basic Information
| ChEMBL ID | CHEMBL4289477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRZPQRYOEZFLIS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
3.49
ALogP
4
HBA
2
HBD
53.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 80.0 | nM | 7.1 | Inhibition of recombinant human MAO-A assessed as reduction in H2O2 production p... | 30109004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30109004 | 10.1039/C8MD00196K | Amine oxidase [flavin-containing] A | 3 |
| 30109004 | 10.1039/C8MD00196K | HepG2 | 3 |
| 30109004 | 10.1039/C8MD00196K | Unchecked | 1 |
| 30109004 | 10.1039/C8MD00196K | Amine oxidase [flavin-containing] B | 1 |
| 30109004 | 10.1039/C8MD00196K | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine