Compound Detail
CHEMBL4471297
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COc1cc(-c2cn[nH]c2)cc(S(=O)(=O)c2cnc(CN)s2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4471297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFTQBBHOENZAKG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4594808 |
| Active Moiety | CHEMBL4594808 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.83
ALogP
7
HBA
2
HBD
111.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 1 hr by ... | - |
Data from ChEMBL 36 via Core Engine