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Compound Detail

CHEMBL1303248

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O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1303248
Phase Preclinical
Structure Type MOL
InChI Key CEJGFKPNBITPIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.85
ALogP
3
HBA
0
HBD
57.7
PSA (Ų)
0.80
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 C18H17F3N2O3S
MW 398.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.90

Data from ChEMBL 36 via Core Engine