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Compound Detail

CHEMBL3546857

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

Basic Information

ChEMBL ID CHEMBL3546857
Phase Preclinical
Structure Type MOL
InChI Key UWSRKILIRPRRIQ-NBVRZTHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
3.92
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO4
MW 379.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine