Compound Detail
CHEMBL3195389
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Basic Information
| ChEMBL ID | CHEMBL3195389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAGYGSLBDCVOGB-UFFVCSGVSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
402.3
MW (Da)
5.54
ALogP
6
HBA
1
HBD
55.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.44
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.44 | 7.17 | 36.0 | 3 |
| 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 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 36.0 | nM | 7.44 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 86.0 | nM | 7.07 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 100.0 | nM | 7.0 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| 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... | - |
Data from ChEMBL 36 via Core Engine