Compound Detail
CHEMBL1375338
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Basic Information
| ChEMBL ID | CHEMBL1375338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FABYEEIARBZBHO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
2.71
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.49 | 5.49 | 3274.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | IC50 | 4.92 | 4.92 | 12050.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.86 | 4.86 | 13716.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.62 | 4.62 | 23770.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.56 | 4.56 | 27351.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 3274.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Signal transducer and activator of transcription 1-alpha/beta | IC50 | = | 12050.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT1 inhibition. (C... | - |
| Toll-like receptor 9 | IC50 | = | 13716.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Signal transducer and activator of transcription 3 | IC50 | = | 23770.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response counterscreen for STAT1 inhibitors: cell-based h... | - |
| Beta Lactamase | IC50 | = | 27351.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
Data from ChEMBL 36 via Core Engine