GALLAMINE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M03AC02
UNII: VYJ027LZ05

Structure
InChI Key OZLPUNFFCJDMJD-UHFFFAOYSA-N
Smile CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC
InChI
InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H60N3O3+3
Molecular Weight 510.83
AlogP 5.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 21.0
Polar Surface Area 27.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 15000 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
130-132 - - 8511 -

Cross References

Resources Reference
ChEBI 94609
ChEMBL CHEMBL360055
DrugCentral 1273
EPA CompTox DTXSID5048392
FDA SRS VYJ027LZ05
Human Metabolome Database HMDB0014626
Guide to Pharmacology 356
PDB GMN
SureChEMBL SCHEMBL12638600
ZINC ZINC000003830882
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