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Compound Detail

CHEMBL3729234

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Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3729234
Phase Preclinical
Structure Type MOL
InChI Key ACHUVCKGUHVBPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.3
MW (Da)
4.47
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F4N4O3S
MW 414.34
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.14

Data from ChEMBL 36 via Core Engine