Compound Detail
CHEMBL1975051
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Basic Information
| ChEMBL ID | CHEMBL1975051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJYCXCXKGCXKMB-PXLXIMEGSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.23
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.2 | 5.0367 | 6290.0 | 3 |
| Eyes absent homolog 2 CHEMBL1293275 | IC50 | 5.14 | 4.96 | 7300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6290.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Eyes absent homolog 2 | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of GST-fused human Eya2 ED (253 to 538 residues) expressed in Escheri... | - |
| Unchecked | IC50 | = | 9137.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 13500.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Eyes absent homolog 2 | IC50 | = | 16800.0 | nM | 4.78 | Inhibition of GST-fused human Eya2 ED (253 to 538 residues) expressed in Escheri... | - |
Data from ChEMBL 36 via Core Engine