Compound Detail
CHEMBL1442729
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Basic Information
| ChEMBL ID | CHEMBL1442729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHJPGKJKEHAANQ-LSQIQBGYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.6
MW (Da)
4.84
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.57
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.57 | 5.57 | 2710.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2710.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
| Ephrin type-A receptor 4 | IC50 | = | 5080.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
Data from ChEMBL 36 via Core Engine