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Compound Detail

CHEMBL1428728

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O=C1CC(=O)Nc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1428728
Phase Preclinical
Structure Type MOL
InChI Key QQDINDBWSFREOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
2.50
ALogP
5
HBA
2
HBD
98.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F3N4O4S
MW 468.46
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.76

Data from ChEMBL 36 via Core Engine