GALLOPAMIL


Synonyms	Gallopamil
Status
Molecule Category	Free-form
ATC	C08DA02
UNII	39WPC8JHR8
EPA CompTox	DTXSID5045172


InChI Key	XQLWNAFCTODIRK-UHFFFAOYSA-N
Smiles	COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC
InChI	InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3

Property Name	Value
Molecular Formula	C28H40N2O5
Molecular Weight	484.64
AlogP	5.1
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	14.0
Polar Surface Area	73.18
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	35.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel	-	11-23	-	5.4	-
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	67.1

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	-	67.1
Homo sapiens	-	11-20	-	5.4	-
Rattus norvegicus	21.8-21.8	15-342	-	15.5-15.5	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	34772
ChEMBL	CHEMBL51149
DrugBank	DB12923
DrugCentral	1275
FDA SRS	39WPC8JHR8
KEGG	C13764
PubChem	1234
SureChEMBL	SCHEMBL49428

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

GALLOPAMIL

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Physicochemical Descriptors

Pharmacology

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