Compound Detail
CHEMBL4468215
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Basic Information
| ChEMBL ID | CHEMBL4468215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QROVYHWOSFNPQV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595979 |
| Active Moiety | CHEMBL4595979 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.74
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of human recombinant MAOA expressed in yeast incubated for 1 hr by lu... | - |
Data from ChEMBL 36 via Core Engine