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Compound Detail

CHEMBL4060471

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COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060471
Phase Preclinical
Structure Type MOL
InChI Key VJOBNGRIBLNUKN-VMHCRYLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.20
ALogP
7
HBA
2
HBD
86.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24O7
MW 388.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.17

Literature References

PubMed DOI Target Context # Activities
28911817 10.1016/j.bmcl.2017.08.047 BV-2 1

Data from ChEMBL 36 via Core Engine