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Compound Detail

CHEMBL4650550

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CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2cccc(F)c2[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650550
Phase Preclinical
Structure Type MOL
InChI Key RNTOOVJDQDJFLR-YXZJEIOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
3.80
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN3OS3+
MW 482.65
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.15

Data from ChEMBL 36 via Core Engine