GALLAMINE

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Search structure


Synonyms	Gallamine
Status
Molecule Category	Free-form
ATC	M03AC02
UNII	VYJ027LZ05
EPA CompTox	DTXSID5048392

Structure


InChI Key	OZLPUNFFCJDMJD-UHFFFAOYSA-N
Smiles	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
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(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor	130-131.83	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Sus scrofa	130-131.83	-	-	-	-

Cross References

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

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025