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

CHEMBL4583127

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
COC(=O)/C=C/C=C/[C@@H](OCC/C(C)=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C[C@@H](O)[C@@]2(C)[C@@]12CO2)[C@@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4583127
Phase Preclinical
Structure Type MOL
InChI Key ZCRBTLSNHWRJKQ-KFOJMXJCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

546.7
MW (Da)
2.95
ALogP
9
HBA
2
HBD
124.0
PSA (Ų)
0.13
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H42O9
MW 546.66
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 2.82

Literature References

PubMed DOI Target Context # Activities
30457333 10.1021/acs.jnatprod.8b00823 HCC70 1
30457333 10.1021/acs.jnatprod.8b00823 BT-549 1
30457333 10.1021/acs.jnatprod.8b00823 MDA-MB-231 1
30457333 10.1021/acs.jnatprod.8b00823 MDA-MB-468 1

Data from ChEMBL 36 via Core Engine