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

CHEMBL1082128

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
O=C(Nc1nc2ccccc2[nH]1)c1ccc(C(F)(F)P(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1082128
Phase Preclinical
Structure Type MOL
InChI Key GRIBYFLJXRGBLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.2
MW (Da)
3.04
ALogP
3
HBA
4
HBD
115.3
PSA (Ų)
0.53
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 C15H12F2N3O4P
MW 367.25
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
19889539 10.1016/j.bmcl.2009.10.090 Low molecular weight protein-tyrosine phosphatase A 1

Data from ChEMBL 36 via Core Engine