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Compound Detail

CHEMBL3558293

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C[N+](C)(C)CCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558293
Phase Preclinical
Structure Type MOL
InChI Key NMXSGCMODWNSCK-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.52
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24NO4+
MW 342.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.75

Data from ChEMBL 36 via Core Engine