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Compound Detail

CHEMBL3093402

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NS(=O)(=O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(F)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3093402
Phase Preclinical
Structure Type MOL
InChI Key DLXSNQAEEZFFMD-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
3.15
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F4N2O3S
MW 404.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
24211162 10.1016/j.bmc.2013.10.023 Molecular identity unknown 1
24211162 10.1016/j.bmc.2013.10.023 Endothelial lipase 1

Data from ChEMBL 36 via Core Engine