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Compound Detail

CHEMBL3614076

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CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3614076
Phase Preclinical
Structure Type MOL
InChI Key ADQYVAWNTXPENQ-XIJSCUBXSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.7
MW (Da)
5.55
ALogP
4
HBA
2
HBD
48.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H46N3O2+
MW 480.72
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.51

Data from ChEMBL 36 via Core Engine