Compound Detail
CHEMBL1555935
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Basic Information
| ChEMBL ID | CHEMBL1555935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYQOHLSKJGPUEZ-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.79
ALogP
5
HBA
1
HBD
41.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.4
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.4 | 6.81 | 4.0 | 5 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.54 | 5.54 | 2890.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.2 | 5.2 | 6310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4.0 | nM | 8.4 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | EC50 | = | 5.0 | nM | 8.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 16.0 | nM | 7.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 2890.0 | nM | 5.54 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for CHOP Gene Expression... | - |
| Unchecked | IC50 | = | 6310.0 | nM | 5.2 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for XBP1 Gene Expression... | - |
| Unchecked | EC50 | = | 16730.0 | nM | 4.78 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 17131.0 | nM | 4.77 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine