Compound Detail
CHEMBL4435416
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COCn1cc(-c2cc(OC)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1.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 | CHEMBL4435416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGTHGILCQFTUJC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595501 |
| Active Moiety | CHEMBL4595501 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
1.91
ALogP
9
HBA
1
HBD
109.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 72.0 | nM | 7.14 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 1 hr by ... | - |
Data from ChEMBL 36 via Core Engine