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

CHEMBL5596464

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(O)[C@@H]1[C@H](C(=O)n2cccc2)[C@H]2CC[C@@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596464
Phase Preclinical
Structure Type MOL
InChI Key TZAFAWGXURRAAH-RGOKHQFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.2
MW (Da)
1.01
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13NO4
MW 235.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.46

Literature References

PubMed DOI Target Context # Activities
39136241 10.1021/acs.jmedchem.4c01304 Tissue factor pathway inhibitor 2 1

Data from ChEMBL 36 via Core Engine