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Compound Detail

CHEMBL516994

TREMULDIN
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O=C(O[C@H]1[C@H](Oc2ccccc2CO)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516994
Name TREMULDIN
Phase Preclinical
Structure Type MOL
InChI Key FWPNCAYVELBDRB-BFMVXSJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
0.22
ALogP
8
HBA
4
HBD
125.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22O8
MW 390.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.38

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
16989539 10.1021/np060237u No relevant target 1

Data from ChEMBL 36 via Core Engine