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Compound Detail

CHEMBL1191062

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CN(C)c1cc(CC(=O)O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191062
Phase Preclinical
Structure Type MOL
InChI Key FGCKDVVIGITSFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.00
ALogP
4
HBA
1
HBD
53.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F3N2O2S
MW 380.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine