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Compound Detail

CHEMBL1962807

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COc1ccc2cc3[n+](cc2c1OCCCOc1cccc(O)c1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962807
Phase Preclinical
Structure Type MOL
InChI Key FYLMIGPBKYHVGJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
4.64
ALogP
6
HBA
1
HBD
70.3
PSA (Ų)
0.31
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 C28H26NO6+
MW 472.52
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.91

Data from ChEMBL 36 via Core Engine