Compound Detail
CHEMBL1411766
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CCCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL1411766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWCIKWXAJQGMDU-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
1.72
ALogP
8
HBA
2
HBD
157.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.79
IC50 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.56 | 5.56 | 2737.0 | 1 |
| Protein Rev CHEMBL1293282 | IC50 | 5.14 | 5.14 | 7261.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.79 | 4.79 | 16016.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.73 | 4.73 | 18652.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 2737.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Protein Rev | IC50 | = | 7261.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
| Zinc finger protein mex-5 | EC50 | = | 16016.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 18652.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine