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Compound Detail

CHEMBL3669186

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COc1cc(C(=O)OCCOC(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3669186
Phase Preclinical
Structure Type MOL
InChI Key IDOLZJZSBNUIKE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
2.15
ALogP
10
HBA
2
HBD
130.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O10
MW 422.39
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.10

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine