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Compound Detail

CHEMBL4168196

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C/C(=C\CC/C(C)=C/C[C@]1(O)C(=O)c2c(O)cc(C)c3c(O)c(C)c(O)c(c23)C1=O)CC/C=C(/CC[C@@H](O)C(C)(C)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168196
Phase Preclinical
Structure Type MOL
InChI Key UYNRJJLNBXUXOO-SVDHZREKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

624.7
MW (Da)
5.45
ALogP
9
HBA
7
HBD
192.8
PSA (Ų)
0.09
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C35H44O10
MW 624.73
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness 1.96

Literature References

PubMed DOI Target Context # Activities
29016131 10.1021/acs.jnatprod.6b00878 Human immunodeficiency virus 1 2
29016131 10.1021/acs.jnatprod.6b00878 SUP-T1 1

Data from ChEMBL 36 via Core Engine