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Compound Detail

CHEMBL3890223

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O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NCc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3890223
Phase Preclinical
Structure Type MOL
InChI Key NRARNIXVZNCVLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

491.4
MW (Da)
4.69
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F7NO4
MW 491.36
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.71

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