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Compound Detail

CHEMBL1458563

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Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1458563
Phase Preclinical
Structure Type MOL
InChI Key DENKAGNNYVMEJL-XYOKQWHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
2.16
ALogP
6
HBA
1
HBD
122.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O6
MW 341.28
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Likely tRNA 2'-phosphotransferase
CHEMBL1293308
 IC50 5.26 5.26 5551.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Likely tRNA 2'-phosphotransferase IC50 = 5551.0 nM 5.26 PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... -

Data from ChEMBL 36 via Core Engine