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Compound Detail

CHEMBL3546986

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COc1ccc2c(c1)OC/C(=C\c1ccc(OCCN3CCOCC3)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546986
Phase Preclinical
Structure Type MOL
InChI Key VZMVUYCLEBBZBG-NBVRZTHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.06
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.70
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 C23H25NO5
MW 395.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine