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Compound Detail

CHEMBL4650958

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CCn1c(=O)/c(=C/C=C2\Sc3ccc(F)cc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650958
Phase Preclinical
Structure Type MOL
InChI Key PMGRRJUNEXGOCL-UPVMUGGESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
3.94
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20F2N3OS3+
MW 500.64
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.15

Data from ChEMBL 36 via Core Engine