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Compound Detail

CHEMBL3040800

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COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040800
Phase Preclinical
Structure Type MOL
InChI Key UOEUJVLYVLHEKQ-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.44
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO5
MW 357.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine