Compound Detail
CHEMBL1471612
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Basic Information
| ChEMBL ID | CHEMBL1471612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCSINHHQJFROGR-ZHACJKMWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
3.94
ALogP
3
HBA
0
HBD
48.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.88
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.88 | 4.84 | 13202.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 82930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-A receptor 4 | IC50 | = | 2300.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
| Unchecked | EC50 | = | 13202.0 | nM | 4.88 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 15842.0 | nM | 4.8 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | IC50 | = | 82930.0 | nM | 4.08 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Data from ChEMBL 36 via Core Engine