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Compound Detail

CHEMBL6069967

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CCCCCCOC(=O)Cc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6069967
Phase Preclinical
Structure Type MOL
InChI Key YLEYTNDYMIWBGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
4.76
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32NO6+
MW 478.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.87

Data from ChEMBL 36 via Core Engine