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Compound Detail

CHEMBL216918

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CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(F)cc(F)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216918
Phase Preclinical
Structure Type MOL
InChI Key CHTRRWJQLSPQOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.9
MW (Da)
5.15
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14ClF2NO4S
MW 449.86
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
17181139 10.1021/jm0610200 Unchecked 3

Data from ChEMBL 36 via Core Engine