ALVERINE


Synonyms	Alverine Phenpropamine
Status
Molecule Category	Free-form
ATC	A03AX08
UNII	46TIR1560O
EPA CompTox	DTXSID0048557


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	ZPFXAOWNKLFJDN-UHFFFAOYSA-N
Smiles	CCN(CCCc1ccccc1)CCCc1ccccc1
InChI	InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H27N
Molecular Weight	281.44
AlogP	4.57
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	9.0
Polar Surface Area	3.24
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Bioactivity

Mechanism of Action	Action	Reference
Hepatocyte nuclear factor 4-alpha activator	ACTIVATOR	PubMed PubMed PubMed PubMed PubMed PubMed PubMed


Protein: Serotonin 1a (5-HT1a) receptor Description: 5-hydroxytryptamine receptor 1A Organism : Homo sapiens P08908 ENSG00000178394

Cross References

Resources	Reference
ChEBI	518413
ChEMBL	CHEMBL253371
DrugBank	DB01616
DrugCentral	142
FDA SRS	46TIR1560O
Human Metabolome Database	HMDB0015554
PharmGKB	PA164764505
PubChem	3678
SureChEMBL	SCHEMBL83067
ZINC	ZINC000001481966

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).