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Compound Detail

CHEMBL1204671

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COc1ccc(C(=O)/C(Cc2ccc(OC)c(OC)c2OC)=C(\C(=O)O)c2cc(OC)c3c(c2)OCO3)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204671
Phase Preclinical
Structure Type MOL
InChI Key ICAHNKLYQDWFQQ-QQTULTPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.6
MW (Da)
4.73
ALogP
9
HBA
1
HBD
119.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30O10
MW 550.56
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.15

Data from ChEMBL 36 via Core Engine