Compound Detail
CHEMBL1503152
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Basic Information
| ChEMBL ID | CHEMBL1503152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSPPSTYUUVYFNI-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
5.29
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.14
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.24 | 5701.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.14 | 5.02 | 7180.0 | 4 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5701.0 | nM | 5.24 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 7180.0 | nM | 5.14 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 9170.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 9321.0 | nM | 5.03 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| X-box-binding protein 1 | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Unchecked | EC50 | = | 13600.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
Data from ChEMBL 36 via Core Engine