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Compound Detail

CHEMBL1907001

BENZODODECINIUM
🧪 Phase II
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🧪 Phase II
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1907001
Name BENZODODECINIUM
Phase Phase II
Structure Type MOL
InChI Key CYDRXTMLKJDRQH-UHFFFAOYSA-N

Known Names

Benzododecinium Benzododecinium cation Benzododecinium ion
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
3
Known Names

Molecular Properties

304.5
MW (Da)
6.18
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -ium

Extended Properties

Molecular Formula C21H38N+
MW 304.54
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.19

ATC Classification

D09AA05
benzododecinium
Level 1: DERMATOLOGICALS
Level 2: MEDICATED DRESSINGS

Literature References

PubMed DOI Target Context # Activities
1271398 10.1021/jm00227a002 Pseudomonas aeruginosa 2
1271398 10.1021/jm00227a002 Clostridium perfringens 2
818381 10.1021/jm00227a004 Staphylococcus aureus 1
1271398 10.1021/jm00227a002 Staphylococcus aureus 1
1271398 10.1021/jm00227a002 ADMET 1

Data from ChEMBL 36 via Core Engine