Compound Detail
CHEMBL1447780
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CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1
Basic Information
| ChEMBL ID | CHEMBL1447780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYDBAFXFVZIVGN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
3.22
ALogP
9
HBA
0
HBD
97.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | IC50 | 4.98 | 4.92 | 10450.0 | 2 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.1 | 4.1 | 79680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 1-alpha/beta | IC50 | = | 10450.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT1 inhibition. (C... | - |
| Signal transducer and activator of transcription 1-alpha/beta | IC50 | = | 13806.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
| Aminopeptidase N | IC50 | = | 79680.0 | nM | 4.1 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine