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Compound Detail

CHEMBL1723854

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CN(N=Cc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL1723854
Phase Preclinical
Structure Type MOL
InChI Key MFRQPZWPZFPOGU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.3
MW (Da)
3.52
ALogP
7
HBA
0
HBD
114.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N5O4
MW 351.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.44

Activity Summary

EC50 1 meas. best 5.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endoribonuclease toxin MazF
CHEMBL1795096
EC50 5.45 5.45 3550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endoribonuclease toxin MazF EC50 = 3550.0 nM 5.45 PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... -

Data from ChEMBL 36 via Core Engine