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Compound Detail

CHEMBL4802429

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O=C1N2C[C@@H](CC[C@H]2C(F)(F)c2nccs2)N1OS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802429
Phase Preclinical
Structure Type MOL
InChI Key LUHYRAPJYQWQQO-RQJHMYQMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
1.24
ALogP
6
HBA
1
HBD
100.0
PSA (Ų)
0.82
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 C10H11F2N3O5S2
MW 355.34
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine