PHENFORMIN

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Search structure


Synonyms	Phenformin
Status
Molecule Category	UNKNOWN
ATC	A10BA01
UNII	DD5K7529CE
EPA CompTox	DTXSID1023449


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

Structure


InChI Key	ICFJFFQQTFMIBG-UHFFFAOYSA-N
Smiles	N=C(N)NC(=N)NCCc1ccccc1
InChI	InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H15N5
Molecular Weight	205.26
AlogP	0.24
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	97.78
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	15.0

Assay Description	Organism	Bioactivity	Reference
Percent inhibition of glucose rise, following 10 mg/kg oral dose in fasted nondiabetic rats	Rattus norvegicus	0.0 %
Percent inhibition of glucose rise, following 100 mg/kg oral dose in fasted nondiabetic rats	Rattus norvegicus	64.0 %
Percent inhibition of glucose rise, following 150 mg/kg oral dose in fasted nondiabetic rats	Rattus norvegicus	71.0 %
Percent inhibition of glucose rise, following 300 mg/kg oral dose in fasted nondiabetic rats	Rattus norvegicus	81.0 %
Percent inhibition of glucose rise, following 50 mg/kg oral dose in fasted nondiabetic rats	Rattus norvegicus	57.0 %
Antimicrobial activity against Plasmodium falciparum	Plasmodium falciparum	0.0 nM
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting	Homo sapiens	34.5 %
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting	Homo sapiens	-2.3 %
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting	Homo sapiens	16.7 %
Hypoglycemic activity in alloxan-induced diabetic albino mouse assessed as decrease in blood glucose level at 1 mmol/kg, po administered 6 days after alloxan injection measured after 2 to 4 hrs by automated glucose oxidase method relative to control	Mus musculus	21.0 %
Hypoglycemic activity in alloxan-induced diabetic albino mouse assessed as decrease in blood glucose level at 1 mmol/kg, po administered 6 days after alloxan injection measured after 1 to 3 hrs by automated glucose oxidase method relative to control	Mus musculus	21.0 %

Cross References

Resources	Reference
ChEBI	8064
ChEMBL	CHEMBL170988
DrugBank	DB00914
DrugCentral	2126
FDA SRS	DD5K7529CE
Human Metabolome Database	HMDB0015050
KEGG	C07673
PDB	8CV
PharmGKB	PA1000
PubChem	8249
SureChEMBL	SCHEMBL8424
ZINC	ZINC000005851063

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).