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

CHEMBL5597997

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)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c2C(C1=O)C1CCCN1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5597997
Phase Preclinical
Structure Type MOL
InChI Key CFMBKEWMKTXUSX-CUJYQZLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

555.5
MW (Da)
2.62
ALogP
9
HBA
2
HBD
147.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H25NO9
MW 555.54
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 1.29

Literature References

PubMed DOI Target Context # Activities
39033406 10.1021/acs.jnatprod.4c00330 B-cell line 1
39033406 10.1021/acs.jnatprod.4c00330 T-cell 1

Data from ChEMBL 36 via Core Engine