Compound Detail
CHEMBL4437983
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Basic Information
| ChEMBL ID | CHEMBL4437983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTTJGZPLBXZAJR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595972 |
| Active Moiety | CHEMBL4595972 |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.53
ALogP
8
HBA
2
HBD
128.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 14380.72 | ng.hr.mL-1 | Mus musculus |
| Cmax | 10000.0 | nM | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 1 hr by ... | - |
Data from ChEMBL 36 via Core Engine