Compound Detail
CHEMBL4596349
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Cn1cc(-c2cc(C(=O)N3CC[C@@H](O)C3)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1
Basic Information
| ChEMBL ID | CHEMBL4596349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNWSRVWTJBAICO-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
1.04
ALogP
9
HBA
2
HBD
131.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 200.0 | nM | 6.7 | LOXL2 Enzyme Activity Assay (b): LOXL2 batch is obtained from R&D systems/Bio-te... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 200.0 | nM | 6.7 | LOXL2 Enzyme Activity Assay (i hour): 10. Incubate for 1 hr at room temp on a pl... | - |
Data from ChEMBL 36 via Core Engine