Compound Detail
CHEMBL5201468
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5201468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDMLKCXXMHXJSE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.8
MW (Da)
3.69
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
Ki 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.24 | 6.24 | 576.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 45.0 | nM | 7.35 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 34915314 |
| Amine oxidase [flavin-containing] A | IC50 | = | 576.0 | nM | 6.24 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 34915314 |
| Amine oxidase [flavin-containing] B | IC50 | = | 1340.0 | nM | 5.87 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 34915314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] B | 2 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] A | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine