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Compound Detail

CHEMBL3727734

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Cc1ccccc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3727734
Phase Preclinical
Structure Type MOL
InChI Key JCKHGGUFNSCJBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.12
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.76
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 C16H13F3N4OS
MW 366.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.05

Data from ChEMBL 36 via Core Engine