Compound Detail
CHEMBL4573381
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Basic Information
| ChEMBL ID | CHEMBL4573381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQDDCXVLKJMNKC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597447 |
| Active Moiety | CHEMBL4597447 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
3.41
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b... | - |
| Unchecked | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insec... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of human recombinant MAOA expressed in yeast incubated for 1 hr by lu... | - |
Data from ChEMBL 36 via Core Engine