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Compound Detail

CHEMBL3942961

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Cc1c(CC(=O)OCCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3942961
Phase Preclinical
Structure Type MOL
InChI Key YUEUUCCKGJQQAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.5
MW (Da)
4.07
ALogP
8
HBA
0
HBD
117.7
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25FN2O7S
MW 504.54
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine