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Compound Detail

CHEMBL1350803

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CN(c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1350803
Phase Preclinical
Structure Type MOL
InChI Key KUJQDQINXXICPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
4.00
ALogP
5
HBA
0
HBD
89.8
PSA (Ų)
0.44
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 C20H18N2O5S
MW 398.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.60

Data from ChEMBL 36 via Core Engine