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Compound Detail

CHEMBL1569621

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O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1569621
Phase Preclinical
Structure Type MOL
InChI Key SNKDHYGIZNNNCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.95
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.87
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 C13H9F3N2OS
MW 298.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.09

Data from ChEMBL 36 via Core Engine