Compound Detail
CHEMBL1312928
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Basic Information
| ChEMBL ID | CHEMBL1312928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHQDGDMVFGTXLC-AQTBWJFISA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.32
ALogP
5
HBA
2
HBD
69.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.8
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 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.6 | 6.365 | 253.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.57 | 5.645 | 270.0 | 2 |
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)... | - |
| G-protein coupled receptor 35 | IC50 | = | 253.3 | nM | 6.6 | PUBCHEM_BIOASSAY: SAR Analysis for the identification of Selective Antagonists o... | - |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| G-protein coupled receptor 35 | IC50 | = | 744.16 | nM | 6.13 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Unchecked | IC50 | = | 18900.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
Data from ChEMBL 36 via Core Engine