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Compound Detail

CHEMBL5084075

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O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5084075
Phase Preclinical
Structure Type MOL
InChI Key DSKPBLLDJJBUMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
4.13
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18F3N3O3S
MW 413.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
34982556 10.1021/acs.jmedchem.1c01851 Unchecked 2

Data from ChEMBL 36 via Core Engine