Compound Detail
CHEMBL5741414
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 | CHEMBL5741414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILOBYYXMAMWGHX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
2.17
ALogP
7
HBA
2
HBD
100.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 1.3 | nM | 8.89 | Radiochemistry Enzymatic Assay: A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm... | - |
| Amine oxidase [copper-containing] 3 | IC50 | = | 2.7 | nM | 8.57 | Radiochemistry Enzymatic Assay: A human VAP-1 enzyme (SSAO) (reference: J Exp Me... | - |
Data from ChEMBL 36 via Core Engine