Compound Detail
CHEMBL1582448
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Basic Information
| ChEMBL ID | CHEMBL1582448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGUDOLPTULDWPK-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.65
ALogP
5
HBA
1
HBD
41.7
PSA (Ų)
0.94
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 4.71
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 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 6.8 | 6.125 | 160.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4780.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.71 | 4.5533 | 19464.0 | 3 |
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)... | - |
| 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 | = | 3580.0 | nM | 5.45 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for CHOP Gene Expression... | - |
| Unchecked | IC50 | = | 4780.0 | nM | 5.32 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for XBP1 Gene Expression... | - |
| Unchecked | EC50 | = | 19464.0 | nM | 4.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 23693.0 | nM | 4.62 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 46940.0 | nM | 4.33 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
Data from ChEMBL 36 via Core Engine