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Compound Detail

CHEMBL1477749

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NNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NN)ccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1477749
Phase Preclinical
Structure Type MOL
InChI Key WNABRRXBQVUOQJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
-0.44
ALogP
6
HBA
4
HBD
144.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4O4S2
MW 354.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.72

Activity Summary

EC50 2 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endoribonuclease toxin MazF
CHEMBL1795096
 EC50 5.35 4.7 4480.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endoribonuclease toxin MazF EC50 = 4480.0 nM 5.35 PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... -
Endoribonuclease toxin MazF EC50 = 89500.0 nM 4.05 PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... -

Data from ChEMBL 36 via Core Engine