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Compound Detail

CHEMBL4597091

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O=C(O)CNc1cccc(CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597091
Phase Preclinical
Structure Type MOL
InChI Key IHJDAYWZMMEHTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
3.38
ALogP
6
HBA
2
HBD
112.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N4O4S
MW 480.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.75

Data from ChEMBL 36 via Core Engine