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Compound Detail

CHEMBL4116051

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COc1cc(/C=C/c2cc(N3CCN(CCO)CC3)c3ccccc3[n+]2C)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116051
Phase Preclinical
Structure Type MOL
InChI Key GKIFOJGSBRQHFB-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
2.67
ALogP
6
HBA
2
HBD
69.3
PSA (Ų)
0.54
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 C26H32N3O4+
MW 450.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine