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Compound Detail

CHEMBL467556

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Cc1ccc(NC(=S)NC2CC(C)(C)Oc3ccc(F)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467556
Phase Preclinical
Structure Type MOL
InChI Key PTJRALVKIMVXDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
4.72
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21FN2OS
MW 344.46
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
18406154 10.1016/j.bmc.2008.03.065 Unchecked 1
18406154 10.1016/j.bmc.2008.03.065 Aorta 1

Data from ChEMBL 36 via Core Engine