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

CHEMBL5173728

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@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)c3ccncc3)C[C@H]2[C@H](OC(=O)c2ccncc2)/C=C/C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5173728
Phase Preclinical
Structure Type MOL
InChI Key GHJWJZAKKMEETE-FLJFXWSUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
4.48
ALogP
8
HBA
0
HBD
104.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N2O6
MW 490.56
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 1.22

Literature References

PubMed DOI Target Context # Activities
36089748 10.1021/acs.jmedchem.2c00532 HepG2 1

Data from ChEMBL 36 via Core Engine