Compound Detail
CHEMBL4467234
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Basic Information
| ChEMBL ID | CHEMBL4467234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHTOGTRSFXLNAY-OZLKFZLXSA-N |
| Parent Compound | CHEMBL4595538 |
| Active Moiety | CHEMBL4595538 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
0.95
ALogP
7
HBA
2
HBD
106.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
| Protein-lysine 6-oxidase CHEMBL4523217 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 19.95 | nM | 7.7 | Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) exp... | 31580073 |
| Protein-lysine 6-oxidase | IC50 | = | 501.19 | nM | 6.3 | Inhibition of LOX in bovine aorta using putrescine as substrate preincubated wit... | 31580073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31580073 | 10.1021/acs.jmedchem.9b01283 | Lysyl oxidase homolog 2 | 1 |
| 31580073 | 10.1021/acs.jmedchem.9b01283 | Protein-lysine 6-oxidase | 1 |
| 31580073 | 10.1021/acs.jmedchem.9b01283 | Amine oxidase [copper-containing] 3 | 1 |
Data from ChEMBL 36 via Core Engine