suramin

Ligand id: 1728

Name: suramin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 29
Hydrogen bond donors 12
Rotatable bonds 22
Topological polar surface area 534.03
Molecular weight 1296.05
XLogP 1.05
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

References
1. Abbracchio MP, Burnstock G, Boeynaems JM, Barnard EA, Boyer JL, Kennedy C, Knight GE, Fumagalli M, Gachet C, Jacobson KA et al.. (2006)
International Union of Pharmacology LVIII: update on the P2Y G protein-coupled nucleotide receptors: from molecular mechanisms and pathophysiology to therapy.
Pharmacol. Rev.58 (3): 281-341. [PMID:16968944]
2. Communi D, Robaye B, Boeynaems JM. (1999)
Pharmacological characterization of the human P2Y11 receptor.
Br. J. Pharmacol.128: 1199-1206. [PMID:10578132]
3. Jacobson KA, Jarvis MF, Williams M. (2002)
Purine and pyrimidine (P2) receptors as drug targets.
J. Med. Chem.45 (19): 4057-93. [PMID:12213051]
4. Janssens R, Paindavoine P, Parmentier M, Boeynaems JM. (1999)
Human P2Y2 receptor polymorphism: identification and pharmacological characterization of two allelic variants.
Br J Pharmacology127: 709-716. [PMID:10401562]
5. Khakh BS, Burnstock G, Kennedy C, King BF, North RA, Séguéla P, Voigt M, Humphrey PP. (2001)
International union of pharmacology. XXIV. Current status of the nomenclature and properties of P2X receptors and their subunits.
Pharmacol. Rev.53 (1): 107-18. [PMID:11171941]
6. Marteau F, Le Poul E, Communi D, Labouret C, Savi P, Boeynaems JM, Gonzalez NS. (2003)
Pharmacological Characterization of the Human P2Y13 Receptor.
Mol Pharmacol64: 104-112. [PMID:12815166]
7. Naviaux JC, Schuchbauer MA, Li K, Wang L, Risbrough VB, Powell SB, Naviaux RK. (2014)
Reversal of autism-like behaviors and metabolism in adult mice with single-dose antipurinergic therapy.
Transl Psychiatry4: e400. [PMID:24937094]
8. Naviaux JC, Wang L, Li K, Bright AT, Alaynick WA, Williams KR, Powell SB, Naviaux RK. (2015)
Antipurinergic therapy corrects the autism-like features in the Fragile X (Fmr1 knockout) mouse model.
Mol Autism6: 1. [PMID:25705365]
9. Naviaux RK, Zolkipli Z, Wang L, Nakayama T, Naviaux JC, Le TP, Schuchbauer MA, Rogac M, Tang Q, Dugan LL et al.. (2013)
Antipurinergic therapy corrects the autism-like features in the poly(IC) mouse model.
PLoS ONE8 (3): e57380. [PMID:23516405]
10. Schachter JB, Harden TK. (1997)
An examination of deoxyadenosine 5'(α-thio)triphosphate as a ligand to define P2Y receptors and its selectivity as a low potency partial agonist of the P2Y1receptor.
Br. J. Pharmacol.121: 338-344. [PMID:9154346]
11. von Kügelgen I, Hoffmann K. (2016)
Pharmacology and structure of P2Y receptors.
Neuropharmacology104: 50-61. [PMID:26519900]
12. Waldo GL, Corbitt J, Boyer JL, Ravi G, Kim HS, Ji XD, Lacy J, Jacobson KA, Harden TK. (2002)
Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist.
Mol Pharmacol62: 1249-1257. [PMID:12391289]
13. Wolner I, Kassack MU, Ullmann H, Karel A, Hohenegger M. (2005)
Use-dependent inhibition of the skeletal muscle ryanodine receptor by the suramin analogue NF676.
Br. J. Pharmacol.146 (4): 525-33. [PMID:16056233]