Compound Detail
CHEMBL1470466
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C[N+]1=C(/C=C/Nc2ccccc2)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL1470466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPYXSDBIWANOQF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1621249 |
| Active Moiety | CHEMBL1621249 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
4.32
ALogP
1
HBA
1
HBD
15.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.27 | 5.27 | 5370.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.77 | 16900.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 5370.0 | nM | 5.27 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Unchecked | IC50 | = | 16900.0 | nM | 4.77 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Matrix metalloproteinase-14 | IC50 | = | 17400.0 | nM | 4.76 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine