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

CHEMBL475583

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
C[C@]1(O)C[C@@H](CSC#N)O[C@@H](c2ccc([N+](=O)[O-])cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475583
Phase Preclinical
Structure Type MOL
InChI Key AININMBFVYBCEE-MJBXVCDLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.78
ALogP
6
HBA
1
HBD
96.4
PSA (Ų)
0.52
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 C14H16N2O4S
MW 308.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
18835505 10.1016/j.ejmech.2008.08.008 Prostaglandin G/H synthase 2 3
18835505 10.1016/j.ejmech.2008.08.008 Prostaglandin G/H synthase 1 2

Data from ChEMBL 36 via Core Engine