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Compound Detail

CHEMBL4081086

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O=C1C=Cc2c(c(-c3ccccc3)cn2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081086
Phase Preclinical
Structure Type MOL
InChI Key YNGWZPGWXXIGMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
3.08
ALogP
7
HBA
0
HBD
116.3
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 C20H12N2O6S
MW 408.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
29313684 10.1021/acs.jmedchem.7b01176 ELAV-like protein 1 1

Data from ChEMBL 36 via Core Engine