Compound Detail
CHEMBL1573994
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Basic Information
| ChEMBL ID | CHEMBL1573994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPROGCSZXVCDKG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1624645 |
| Active Moiety | CHEMBL1624645 |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
2.71
ALogP
5
HBA
1
HBD
41.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.8
EC50 2 meas. best 5.7
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 | 6.005 | 160.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.84 | 5.5 | 1430.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.7 | 5.7 | 2020.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.3 | 5.3 | 5027.0 | 1 |
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... | - |
| Unchecked | IC50 | = | 1430.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Unchecked | EC50 | = | 2020.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 5027.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 6180.0 | nM | 5.21 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for CHOP Gene Expression... | - |
| Unchecked | IC50 | = | 6850.0 | nM | 5.16 | PubChem BioAssay. Medium Throughput Quantitative RT-PCR for XBP1 Gene Expression... | - |
Data from ChEMBL 36 via Core Engine