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Compound Detail

CHEMBL1622641

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O=C(C[n+]1ccc(CCSc2ccc(F)cc2)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622641
Phase Preclinical
Structure Type MOL
InChI Key OLCUXBBVEMVPJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.33
ALogP
2
HBA
0
HBD
20.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19FNOS+
MW 352.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine