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Compound Detail

CHEMBL1428817

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Cc1cccc(NS(=O)(=O)c2ccc3nc(O)cc(C(=O)OC(C)C(=O)Nc4ccc([N+](=O)[O-])cc4)c3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1428817
Phase Preclinical
Structure Type MOL
InChI Key NAFFXJIRYIJLSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.5
MW (Da)
4.14
ALogP
9
HBA
3
HBD
177.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N4O8S
MW 550.55
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.88

Data from ChEMBL 36 via Core Engine