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Compound Detail

CHEMBL1179945

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CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179945
Phase Preclinical
Structure Type MOL
InChI Key CWGSBSDVENZCNI-NSOVKSMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.7
MW (Da)
4.84
ALogP
2
HBA
0
HBD
14.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H44N4+2
MW 436.69
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine