Compound Detail
CHEMBL1329962
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Basic Information
| ChEMBL ID | CHEMBL1329962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMNXPUCTWIHZCR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.53
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.15
IC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.65 | 5.65 | 2260.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.15 | 5.15 | 7120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-A receptor 4 | IC50 | = | 2260.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
| Unchecked | EC50 | = | 7120.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine