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Compound Detail

CHEMBL3921584

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COc1ccc(OC)c(C(O)CC/C(C)=C/C=C/CC/C=C\c2cc(OC)c(OC)c(OC)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3921584
Phase Preclinical
Structure Type MOL
InChI Key ZGZNVUVISAJOBX-GKQNZGNCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
6.54
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38O6
MW 482.62
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.90

Data from ChEMBL 36 via Core Engine