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Compound Detail

CHEMBL447738

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COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL447738
Phase Preclinical
Structure Type MOL
InChI Key YFVGIJBUXMQFOF-BBVVMKNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

592.5
MW (Da)
-0.80
ALogP
14
HBA
7
HBD
218.0
PSA (Ų)
0.18
QED
3
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 C28H32O14
MW 592.55
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness 1.69

Literature References

PubMed DOI Target Context # Activities
8158164 10.1021/np50103a006 ADMET 1
8158164 10.1021/np50103a006 H9 1
8158164 10.1021/np50103a006 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine