Compound Detail
CHEMBL5997326
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O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL5997326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQJPCDHQEJIXCN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
6.19
ALogP
6
HBA
2
HBD
96.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene Wnt-1 CHEMBL1255129 | IC50 | 6.73 | 6.73 | 188.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene Wnt-1 | IC50 | = | 188.0 | nM | 6.73 | Wnt activity assay: Reporter cell lines were generated by stably transducing cel... | - |
Data from ChEMBL 36 via Core Engine