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Compound Detail

CHEMBL1181520

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CCn1c(=O)/c(=C2\Sc3cc(C(F)(F)F)ccc3N2C)s/c1=C\c1cccc[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181520
Phase Preclinical
Structure Type MOL
InChI Key NHYGQKWTBXQONW-XUTLUUPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
3.39
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.56
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 C22H21F3N3OS2+
MW 464.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine