Compound Detail
CHEMBL1891367
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O=C(O)C(F)(F)F.O=C1C(Cc2ccccc2)Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N1Cc1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL1891367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPKDJPDXCGSRNJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1889956 |
| Active Moiety | CHEMBL1889956 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
569.5
MW (Da)
5.14
ALogP
6
HBA
1
HBD
64.6
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL1293264 | IC50 | 5.59 | 5.59 | 2540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | IC50 | = | 2540.0 | nM | 5.59 | PubChem BioAssay. Dose response counterscreen for EBI2 assay utilizing the enzym... | - |
Data from ChEMBL 36 via Core Engine