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

CHEMBL5281436

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@@H]1OC(=O)[C@H]([C@@H]2CC[C@]34C[C@]23C=C[C@@H]2[C@@]3(C)CC(=O)/C(=C\C(=O)c5ccccc5)C(C)(C)[C@@H]3C[C@H](O)[C@]24C)[C@H]1O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5281436
Phase Preclinical
Structure Type MOL
InChI Key MOFNGEJECVXROJ-HWJMPBBFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

614.8
MW (Da)
5.00
ALogP
7
HBA
3
HBD
121.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H46O7
MW 614.78
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness 2.49

Literature References

PubMed DOI Target Context # Activities
36583957 10.1021/acs.jnatprod.2c00971 HL-60 1
36583957 10.1021/acs.jnatprod.2c00971 A549 1

Data from ChEMBL 36 via Core Engine