Compound Detail
CHEMBL1409900
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Basic Information
| ChEMBL ID | CHEMBL1409900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OERXBCCROVVZJG-AQTBWJFISA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.02
ALogP
6
HBA
2
HBD
78.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
EC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.9 | 5.9 | 1270.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.11 | 4.11 | 78100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| X-box-binding protein 1 | IC50 | = | 160.0 | nM | 6.8 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 160.0 | nM | 6.8 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 1270.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Protein RecA | EC50 | = | 78100.0 | nM | 4.11 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Data from ChEMBL 36 via Core Engine