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Compound Detail

CHEMBL384178

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CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL384178
Phase Preclinical
Structure Type MOL
InChI Key MMPTXAFRKLNZPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.4
MW (Da)
6.65
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F6N2O2S
MW 486.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
17034133 10.1021/jm060546h FaDu 1

Data from ChEMBL 36 via Core Engine