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Compound Detail

CHEMBL4211216

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C=C1[C@@H]2[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@]4(C)OC[C@@]3(C)[C@@]4(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(COC(=O)c2ccccc2)[C@@H](OC(C)=O)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211216
Phase Preclinical
Structure Type MOL
InChI Key YGDMNNDIKAOMNZ-BGANUFSNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

686.7
MW (Da)
1.62
ALogP
14
HBA
2
HBD
198.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C35H42O14
MW 686.71
Aromatic Rings 1
Heavy Atoms 49
NP-Likeness 2.28

Literature References

PubMed DOI Target Context # Activities
28240909 10.1021/acs.jnatprod.7b00006 Unchecked 1
28240909 10.1021/acs.jnatprod.7b00006 HeLa 1

Data from ChEMBL 36 via Core Engine