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

CHEMBL98309

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
CC(=O)N[C@@H](/C=C/C(C)=C/c1ccc(-c2ccccc2)cc1)[C@H](C)C(=O)N[C@H](C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98309
Phase Preclinical
Structure Type MOL
InChI Key AQMMABVSCIIRQI-NJFSSMHLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.04
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O4
MW 434.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
14611855 10.1016/s0960-894x(03)00588-2 Protein phosphatase 1B 1
14611855 10.1016/s0960-894x(03)00588-2 Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine