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Compound Detail

CHEMBL1583797

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COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1

Basic Information

ChEMBL ID CHEMBL1583797
Phase Preclinical
Structure Type MOL
InChI Key RXWHRXMUQBNLKF-UHFFFAOYSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.3
MW (Da)
1.89
ALogP
7
HBA
3
HBD
162.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O7
MW 388.34
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.79

Activity Summary

IC50 3 meas. best 5.33
EC50 1 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eukaryotic translation initiation factor 4H
CHEMBL1293274
IC50 5.33 5.085 4620.0 2
Apoptotic protease-activating factor 1
CHEMBL1795093
EC50 4.98 4.98 10400.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.12 4.12 76200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine