Compound Detail
CHEMBL3185655
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Basic Information
| ChEMBL ID | CHEMBL3185655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOOVEQKFKSCTMT-VXLYETTFSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.8
MW (Da)
4.49
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
EC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.43 | 7.26 | 37.0 | 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 | 5.77 | 160.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 37.0 | nM | 7.43 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | EC50 | = | 59.0 | nM | 7.23 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 75.0 | nM | 7.12 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| 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... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 18370.0 | nM | 4.74 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for CHOP Gene Expression... | - |
| Unchecked | IC50 | = | 20110.0 | nM | 4.7 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for XBP1 Gene Expression... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
Data from ChEMBL 36 via Core Engine