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Compound Detail

CHEMBL3546855

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O=C1/C(=C/c2ccc(OCCCN3CCCCC3)cc2)COc2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546855
Phase Preclinical
Structure Type MOL
InChI Key VTPSSAWAPWSNHA-XDJHFCHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.31
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO4
MW 393.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine