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Compound Detail

CHEMBL463511

TREMULACINOL
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O=C(O[C@H]1[C@H](Oc2ccccc2COC(=O)[C@]2(O)C=CCC[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL463511
Name TREMULACINOL
Phase Preclinical
Structure Type MOL
InChI Key VMTVSRVEQGYRCZ-OSMBNHQVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

530.5
MW (Da)
0.22
ALogP
11
HBA
5
HBD
172.2
PSA (Ų)
0.23
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 C27H30O11
MW 530.53
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.66

Literature References

PubMed DOI Target Context # Activities
15104498 10.1021/np034052o Human alphaherpesvirus 1 1
15104498 10.1021/np034052o Human alphaherpesvirus 2 1
15104498 10.1021/np034052o Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine