Compound Detail
CHEMBL5901572
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 | CHEMBL5901572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSOQHVXOPYOWRQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
1.86
ALogP
4
HBA
2
HBD
71.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 7.81 | 7.81 | 15.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 0.9 | nM | 9.05 | Inhibitory Assay: The compounds of the present invention obtained in Production ... | - |
| Amine oxidase [copper-containing] 3 | IC50 | = | 15.4 | nM | 7.81 | Inhibitory Assay: The compounds of the present invention obtained in Production ... | - |
Data from ChEMBL 36 via Core Engine