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Compound Detail

CHEMBL1199480

OCTENIDINE
🧪 Phase II
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🧪 Phase II
CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1

Basic Information

ChEMBL ID CHEMBL1199480
Name OCTENIDINE
Phase Phase II
Structure Type MOL
InChI Key ZVXNYZWXUADSRV-UHFFFAOYSA-N

Known Names

Octenidina Octenidine Octenidine component of las-41003
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
3
Known Names
1
Indications
1
Mechanisms

Molecular Properties

550.9
MW (Da)
9.63
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1979

Extended Properties

Molecular Formula C36H62N4
MW 550.92
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.16

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Antiseptic - -

Indications

Infections

ATC Classification

A01AB24
octenidine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: STOMATOLOGICAL PREPARATIONS
D08AJ57
octenidine, combinations
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
G01AX66
octenidine, combinations
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
R02AA21
octenidine
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS

Literature References

PubMed DOI Target Context # Activities
3172139 10.1021/jm00118a030 Streptococcus sobrinus 3
3172139 10.1021/jm00118a030 Actinomyces viscosus 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
39255387 10.1021/acs.jnatprod.4c00690 Staphylococcus aureus 1
39255387 10.1021/acs.jnatprod.4c00690 Escherichia coli 1
39255387 10.1021/acs.jnatprod.4c00690 Candida albicans 1

Data from ChEMBL 36 via Core Engine