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Compound Detail

CHEMBL1200086

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CC(Cc1nc(-c2ccc(S(C)(=O)=O)cc2Cl)no1)C(F)=C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200086
Phase Preclinical
Structure Type MOL
InChI Key SYTNSVGDEHOAHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
4.77
ALogP
5
HBA
0
HBD
73.1
PSA (Ų)
0.72
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 C18H20ClFN2O3S
MW 398.89
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.62

Data from ChEMBL 36 via Core Engine