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Compound Detail

CHEMBL1181722

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C[N+]1(C)[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181722
Phase Preclinical
Structure Type MOL
InChI Key JQDGHZVJQFDVDC-ZRZAMGCNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.5
MW (Da)
5.25
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N+
MW 322.52
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.38

Data from ChEMBL 36 via Core Engine