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Compound Detail

CHEMBL3908220

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O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3908220
Phase Preclinical
Structure Type MOL
InChI Key KRJZZXKNHIXOJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

423.3
MW (Da)
3.52
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F6NO4
MW 423.31
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
27529021 10.1039/C6MD00277C Unchecked 1
27529021 10.1039/C6MD00277C Tyrosine-protein phosphatase non-receptor type 11 1
27529021 10.1039/C6MD00277C Tyrosine-protein phosphatase non-receptor type 1 1
27529021 10.1039/C6MD00277C Receptor-type tyrosine-protein phosphatase C 1
27529021 10.1039/C6MD00277C Tyrosine-protein phosphatase non-receptor type 22 1
27529021 10.1039/C6MD00277C Tyrosine-protein phosphatase non-receptor type 13 1

Data from ChEMBL 36 via Core Engine