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Compound Detail

CHEMBL4849751

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C[C@H](O)C[C@@H]1CCCCCc2cc(O)cc(O)c2C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4849751
Phase Preclinical
Structure Type MOL
InChI Key ICFDZKDHUMGERS-GWCFXTLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.51
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22O5
MW 294.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.66

Literature References

PubMed DOI Target Context # Activities
33544615 10.1021/acs.jnatprod.0c01344 Splenocyte 3

Data from ChEMBL 36 via Core Engine