Compound Detail
CHEMBL1476643
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COc1ccc(-c2ccc(-c3nc4ccc(C)cn4c3NC3CCCCC3)cc2OC)cc1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1476643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWMGLTFXUJIWGB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1622933 |
| Active Moiety | CHEMBL1622933 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
6.74
ALogP
5
HBA
1
HBD
47.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL1293264 | IC50 | 4.11 | 4.11 | 77500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | IC50 | = | 77500.0 | nM | 4.11 | PubChem BioAssay. Dose response counterscreen for EBI2 assay utilizing the enzym... | - |
Data from ChEMBL 36 via Core Engine