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Compound Detail

CHEMBL577787

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CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL577787
Phase Preclinical
Structure Type MOL
InChI Key PQUIAOFHYBQBIA-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
4.40
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClFN3O2S2
MW 413.93
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.33

Literature References

PubMed DOI Target Context # Activities
19443228 10.1016/j.bmc.2009.04.052 Unchecked 4

Data from ChEMBL 36 via Core Engine