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

CHEMBL4868495

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(C)C(=O)O[C@@H]1/C=C\[C@]2(O)C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@]2(O)[C@]2(C)C(=O)C[C@@]1(C)[C@@H]2CC(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4868495
Phase Preclinical
Structure Type MOL
InChI Key UHFLRSUMXSNATQ-OENJBSJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

568.6
MW (Da)
3.29
ALogP
10
HBA
2
HBD
149.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36O10
MW 568.62
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 2.68

Literature References

PubMed DOI Target Context # Activities
33661631 10.1021/acs.jnatprod.0c01217 Heat shock protein HSP 90-alpha 1

Data from ChEMBL 36 via Core Engine