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Compound Detail

CHEMBL3614081

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CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3614081
Phase Preclinical
Structure Type MOL
InChI Key DTUYFIYHCUBCJI-CGAIIQECSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
3.60
ALogP
4
HBA
2
HBD
48.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N3O2+
MW 410.58
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.59

Data from ChEMBL 36 via Core Engine