Compound Detail
CHEMBL1990598
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Basic Information
| ChEMBL ID | CHEMBL1990598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMGRVFAALAEULJ-MCOFMCJXSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.99
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.27
EC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.0567 | 1760.0 | 3 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.49 | 5.49 | 3254.6 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.2 | 5.2 | 6320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| X-box-binding protein 1 | IC50 | = | 540.0 | nM | 6.27 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Unchecked | IC50 | = | 1760.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 2040.0 | nM | 5.69 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| G-protein coupled receptor 55 | IC50 | = | 3254.63 | nM | 5.49 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Unchecked | EC50 | = | 6320.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
| Unchecked | IC50 | = | 16380.0 | nM | 4.79 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 23440.0 | nM | 4.63 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine