Compound Detail
CHEMBL3212216
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Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=c1/s/c(=C\c2ccccn2)c(=O)n1-c1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL3212216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRNRVAKLZPVNKN-PKHIUPGNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
3.61
ALogP
6
HBA
1
HBD
91.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL1293264 | IC50 | 4.18 | 4.18 | 65900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | IC50 | = | 65900.0 | nM | 4.18 | PubChem BioAssay. Dose response counterscreen for EBI2 assay utilizing the enzym... | - |
Data from ChEMBL 36 via Core Engine