Compound Detail
CHEMBL5741090
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Basic Information
| ChEMBL ID | CHEMBL5741090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLAWJKHYGUNUCK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
1.13
ALogP
6
HBA
2
HBD
91.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 0.6 | nM | 9.22 | Inhibitory Assay: The compounds of the present invention obtained in Production ... | - |
| Amine oxidase [copper-containing] 3 | IC50 | = | 3.7 | nM | 8.43 | Inhibitory Assay: The compounds of the present invention obtained in Production ... | - |
Data from ChEMBL 36 via Core Engine