Compound Detail
CHEMBL5996897
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Basic Information
| ChEMBL ID | CHEMBL5996897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMEGJOLGMHSJGI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
2.68
ALogP
7
HBA
2
HBD
131.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 1.8 | nM | 8.74 | Radiochemistry Enzymatic Assay: A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm... | - |
| Amine oxidase [copper-containing] 3 | IC50 | = | 5.3 | nM | 8.28 | Radiochemistry Enzymatic Assay: A human VAP-1 enzyme (SSAO) (reference: J Exp Me... | - |
Data from ChEMBL 36 via Core Engine