Compound Detail
CHEMBL5816555
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Basic Information
| ChEMBL ID | CHEMBL5816555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYLAOSCVMAAQEH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
1.89
ALogP
5
HBA
2
HBD
99.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 9.09 | 9.09 | 0.8 | 2 |
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 8.37 | 8.37 | 4.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 0.81 | nM | 9.09 | Radiochemistry Enzymatic Assay: A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm... | - |
| Amine oxidase [copper-containing] 3 | IC50 | = | 0.81 | nM | 9.09 | Radiochemistry Enzymatic Assay: A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm... | - |
| Amine oxidase [copper-containing] 3 | IC50 | = | 4.3 | nM | 8.37 | Radiochemistry Enzymatic Assay: A human VAP-1 enzyme (SSAO) (reference: J Exp Me... | - |
| Amine oxidase [copper-containing] 3 | IC50 | = | 4.3 | nM | 8.37 | Radiochemistry Enzymatic Assay: A human VAP-1 enzyme (SSAO) (reference: J Exp Me... | - |
Data from ChEMBL 36 via Core Engine