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Compound Detail

CHEMBL3981916

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O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3981916
Phase Preclinical
Structure Type MOL
InChI Key VJTCJVQNMYBFQI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
2.99
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.70
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 C14H9F3N4O3S2
MW 402.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.14

Data from ChEMBL 36 via Core Engine