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Compound Detail

CHEMBL4559458

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COc1cc([C@@H]2Oc3c(OC)cc(C(=O)O)cc3[C@H]2COC(=O)CC(C)C)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4559458
Phase Preclinical
Structure Type MOL
InChI Key LVWZYRSQVBHEHU-IERDGZPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
3.91
ALogP
7
HBA
2
HBD
111.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H26O8
MW 430.45
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.38

Literature References

PubMed DOI Target Context # Activities
30896183 10.1021/acs.jnatprod.8b00670 Trypanosoma congolense 1

Data from ChEMBL 36 via Core Engine