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

CHEMBL1774409

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
CCC(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)C4CC5O[C@@H]5C[C@@H](OC)C[C@]45O)[C@@H]4[C@@H](C(=O)OC)OC[C@@]14[C@@H]32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1774409
Phase Preclinical
Structure Type MOL
InChI Key ZMBSZFLUIUMZOK-GYBMRARMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

736.8
MW (Da)
0.86
ALogP
15
HBA
2
HBD
195.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H52O15
MW 736.81
Aromatic Rings 0
Heavy Atoms 52
NP-Likeness 2.88

Literature References

PubMed DOI Target Context # Activities
21381696 10.1021/np100783k NON-PROTEIN TARGET 2
21381696 10.1021/np100783k HL-60 1
21381696 10.1021/np100783k A549 1
21381696 10.1021/np100783k SK-BR-3 1

Data from ChEMBL 36 via Core Engine