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Compound Detail

CHEMBL3546928

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O=C1/C(=C/c2ccc(OCCN3CCCCC3)cc2)COc2cc(OCc3ccccc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546928
Phase Preclinical
Structure Type MOL
InChI Key WWKIBFAHRYSNQQ-NCELDCMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
5.79
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31NO4
MW 469.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine