Compound Detail
CHEMBL4446827
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Basic Information
| ChEMBL ID | CHEMBL4446827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMNZBIACDAJCIU-QFYYESIMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.74
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.69 | 4.69 | 20300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 27575476 |
| Amine oxidase [flavin-containing] A | IC50 | = | 20300.0 | nM | 4.69 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 27575476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27575476 | 10.1016/j.bmcl.2016.08.044 | Amine oxidase [flavin-containing] B | 4 |
| 27575476 | 10.1016/j.bmcl.2016.08.044 | Unchecked | 1 |
| 27575476 | 10.1016/j.bmcl.2016.08.044 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine