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Compound Detail

CHEMBL496846

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COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2CO[C@@H](O)[C@@H]2C)cc2c1OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496846
Phase Preclinical
Structure Type MOL
InChI Key SNBUNJUZIKRKCA-MHLYXQECSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
2.89
ALogP
8
HBA
1
HBD
84.8
PSA (Ų)
0.80
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 C22H24O8
MW 416.43
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.18

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
16724842 10.1021/np0600447 Unchecked 6
16724842 10.1021/np0600447 ADMET 1
16724842 10.1021/np0600447 WI-38 VA13 1
16724842 10.1021/np0600447 HepG2 1

Data from ChEMBL 36 via Core Engine