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Compound Detail

CHEMBL3426556

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Cc1cc(=O)c(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C[C@H](C(C)(C)O)CC2

Basic Information

ChEMBL ID CHEMBL3426556
Phase Preclinical
Structure Type MOL
InChI Key VHEIRYSOAGPSSD-TWMDVTLASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

554.6
MW (Da)
-0.42
ALogP
11
HBA
6
HBD
200.3
PSA (Ų)
0.22
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H38O12
MW 554.59
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
25587934 10.1021/np5006696 Human immunodeficiency virus 1 1
25587934 10.1021/np5006696 Human immunodeficiency virus type 1 reverse transcriptase 1
25587934 10.1021/np5006696 CEM-SS 1

Data from ChEMBL 36 via Core Engine