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Compound Detail

CHEMBL3558294

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

Basic Information

ChEMBL ID CHEMBL3558294
Phase Preclinical
Structure Type MOL
InChI Key OPNXXZYFQIWXMD-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.30
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28NO4+
MW 370.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.59

Data from ChEMBL 36 via Core Engine