metformin

Ligand id: 4779

Name: metformin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 91.49
Molecular weight 129.1
XLogP -0.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Lee CF, Lo YC, Cheng CH, Furtmüller GJ, Oh B, Andrade-Oliveira V, Thomas AG, Bowman CE, Slusher BS, Wolfgang MJ et al.. (2015)
Preventing Allograft Rejection by Targeting Immune Metabolism.
Cell Rep, 13 (4): 760-770. [PMID:26489460]
2. Masuda S, Terada T, Yonezawa A, Tanihara Y, Kishimoto K, Katsura T, Ogawa O, Inui K. (2006)
Identification and functional characterization of a new human kidney-specific H+/organic cation antiporter, kidney-specific multidrug and toxin extrusion 2.
J. Am. Soc. Nephrol., 17 (8): 2127-35. [PMID:16807400]
3. Schuiveling M, Vazirpanah N, Radstake TRDJ, Zimmermann M, Broen JCA. (2018)
Metformin, A New Era for an Old Drug in the Treatment of Immune Mediated Disease?.
Curr Drug Targets, 19 (8): 945-959. [PMID:28606032]
4. Shu Y, Sheardown SA, Brown C, Owen RP, Zhang S, Castro RA, Ianculescu AG, Yue L, Lo JC, Burchard EG et al.. (2007)
Effect of genetic variation in the organic cation transporter 1 (OCT1) on metformin action.
J. Clin. Invest., 117 (5): 1422-31. [PMID:17476361]
5. Tanihara Y, Masuda S, Sato T, Katsura T, Ogawa O, Inui K. (2007)
Substrate specificity of MATE1 and MATE2-K, human multidrug and toxin extrusions/H(+)-organic cation antiporters.
Biochem. Pharmacol., 74 (2): 359-71. [PMID:17509534]
6. Zhou M, Xia L, Wang J. (2007)
Metformin transport by a newly cloned proton-stimulated organic cation transporter (plasma membrane monoamine transporter) expressed in human intestine.
Drug Metab. Dispos., 35 (10): 1956-62. [PMID:17600084]