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Compound Detail

CHEMBL3040803

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COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040803
Phase Preclinical
Structure Type MOL
InChI Key GENVWLSAPICTPF-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
2.47
ALogP
6
HBA
2
HBD
61.0
PSA (Ų)
0.74
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 C20H24N2O4
MW 356.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine