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Compound Detail

CHEMBL3581417

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CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]2[C@@]2(C)[C@@H](O)C[C@@H](OC(C)=O)C(C)(C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581417
Phase Preclinical
Structure Type MOL
InChI Key VGPRFELQIPNZRN-RHSQWIFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

556.7
MW (Da)
5.34
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H44O8
MW 556.70
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness 3.15

Literature References

PubMed DOI Target Context # Activities
25798528 10.1021/np501057f Tobacco mosaic virus 4
25798528 10.1021/np501057f HL-60 1
25798528 10.1021/np501057f SMMC-7721 1
25798528 10.1021/np501057f A549 1
25798528 10.1021/np501057f MCF7 1
25798528 10.1021/np501057f SW480 1

Data from ChEMBL 36 via Core Engine