Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3981501

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCNC(=O)COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3981501
Phase Preclinical
Structure Type MOL
InChI Key OSWWTMZGHKYJTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

425.3
MW (Da)
3.76
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.62
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 C18H17F6NO4
MW 425.32
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.54

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