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Compound Detail

CHEMBL4071445

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CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4071445
Phase Preclinical
Structure Type MOL
InChI Key YHAUKDAEPFTPBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.5
MW (Da)
6.16
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22F3NO4S
MW 489.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
28285917 10.1016/j.bmcl.2017.02.073 Unchecked 1

Data from ChEMBL 36 via Core Engine