Compound Detail
CHEMBL4548731
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Cl.Cl.NCc1ncc(S(=O)(=O)c2cc(C(=O)N3CCC(O)C3)cc(-c3ccccc3)c2)s1
Basic Information
| ChEMBL ID | CHEMBL4548731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLMPXMQKPDXFET-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4598012 |
| Active Moiety | CHEMBL4598012 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
2.31
ALogP
7
HBA
2
HBD
113.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 1 hr by ... | - |
Data from ChEMBL 36 via Core Engine