AMBENONIUM

Search structure
Synonyms:
Status: Approved (1956)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N07AA30
UNII: L16PUN799N

Structure
InChI Key OMHBPUNFVFNHJK-UHFFFAOYSA-P
Smile CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl
InChI
InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H42Cl2N4O2+2
Molecular Weight 537.58
AlogP 4.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0 46000-54000 - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 2627
ChEMBL CHEMBL1652
DrugBank DB01122
DrugCentral 146
EPA CompTox DTXSID5048396
FDA SRS L16PUN799N
Human Metabolome Database HMDB0015254
KEGG C07773
PharmGKB PA164764601
PubChem 2131
SureChEMBL SCHEMBL284678
ZINC ZINC000003995599
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