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Compound Detail

CHEMBL2027929

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COc1ccc2cc3[n+](cc2c1OCCOc1ccc(-c2cc4ccccc4o2)cc1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2027929
Phase Preclinical
Structure Type MOL
InChI Key UVVUDKUDTQSDGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

558.6
MW (Da)
6.96
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H28NO6+
MW 558.61
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness 0.62

Data from ChEMBL 36 via Core Engine