Compound Detail
CHEMBL4092740
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 | CHEMBL4092740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKRZYDXKJLEFCP-YYLIZZNMSA-N |
| Parent Compound | CHEMBL4118001 |
| Active Moiety | CHEMBL4118001 |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
1.49
ALogP
5
HBA
2
HBD
88.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 7.09 | 6.65 | 82.0 | 3 |
| Lysyl oxidase homolog 3 CHEMBL4105989 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 p... | 28471663 |
| Lysyl oxidase homolog 2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 p... | 28471663 |
| Lysyl oxidase homolog 2 | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of recombinant human LOXL2 expressed in human whole blood assessed as... | 28471663 |
| Lysyl oxidase homolog 3 | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of recombinant human LOXL3 assessed as reduction of H2O2 production f... | 28471663 |
| Protein-lysine 6-oxidase | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of human LOX expressed in HEK cells assessed as reduction of H2O2 pro... | 28471663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Lysyl oxidase homolog 2 | 5 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Protein-lysine 6-oxidase | 1 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Lysyl oxidase homolog 3 | 1 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Amine oxidase [copper-containing] 3 | 1 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Diamine oxidase [copper-containing] | 1 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Amine oxidase [flavin-containing] A | 1 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Amine oxidase [flavin-containing] B | 1 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine