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Compound Detail

CHEMBL4116144

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COc1ccc(F)cc1C1CC1CNCc1ccsc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116144
Phase Preclinical
Structure Type MOL
InChI Key QHIKWUCTYTUHRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
3.80
ALogP
4
HBA
1
HBD
30.5
PSA (Ų)
0.84
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 C17H20FNO2S
MW 321.42
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine