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Compound Detail

CHEMBL1186521

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Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2cccc(F)c2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186521
Phase Preclinical
Structure Type MOL
InChI Key MVLSXWFLBKVSDR-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
3.22
ALogP
3
HBA
3
HBD
108.9
PSA (Ų)
0.41
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 C23H22FN4O3S+
MW 453.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine