Compound Detail
CHEMBL4066086
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 | CHEMBL4066086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQAHBOKPZNLKRF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
138.2
MW (Da)
0.55
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 5.93 | 5.54 | 1180.0 | 4 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 1180.0 | nM | 5.93 | Inhibition of full length recombinant human LOXL2 expressed in CHO cells assesse... | 28435530 |
| Lysyl oxidase homolog 2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 p... | 28471663 |
| Lysyl oxidase homolog 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 p... | 28471663 |
| Protein-lysine 6-oxidase | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human LOX expressed in HEK cells assessed as reduction of H2O2 pro... | 28471663 |
| Lysyl oxidase homolog 2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of recombinant human LOXL2 expressed in human whole blood assessed as... | 28471663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Lysyl oxidase homolog 2 | 3 |
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 28435530 | 10.1021/acsmedchemlett.7b00014 | Lysyl oxidase homolog 2 | 1 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Protein-lysine 6-oxidase | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine