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Compound Detail

CHEMBL4802503

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N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802503
Phase Preclinical
Structure Type MOL
InChI Key GVALNVSEMAYPOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
3.56
ALogP
4
HBA
2
HBD
87.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14F3N3O2S
MW 393.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine