ZM-241385   

GtoPdb Ligand ID: 405

Synonyms: ZM-241,385 | ZM241385
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 127.39
Molecular weight 337.13
XLogP 1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1
Isomeric SMILES Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1
InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
InChI Key PWTBZOIUWZOPFT-UHFFFAOYSA-N
References
1. Beukers MW, den Dulk H, van Tilburg EW, Brouwer J, Ijzerman AP. (2000)
Why are A(2B) receptors low-affinity adenosine receptors? Mutation of Asn273 to Tyr increases affinity of human A(2B) receptor for 2-(1-Hexynyl)adenosine.
Mol. Pharmacol., 58 (6): 1349-56. [PMID:11093773]
2. Jacobson KA, Gao ZG. (2006)
Adenosine receptors as therapeutic targets.
Nat Rev Drug Discov, 5 (3): 247-64. [PMID:16518376]
3. Ji X, Kim YC, Ahern DG, Linden J, Jacobson KA. (2001)
[3H]MRS 1754, a selective antagonist radioligand for A(2B) adenosine receptors.
Biochem. Pharmacol., 61 (6): 657-63. [PMID:11266650]
4. Linden J, Thai T, Figler H, Jin X, Robeva AS. (1999)
Characterization of human A(2B) adenosine receptors: radioligand binding, western blotting, and coupling to G(q) in human embryonic kidney 293 cells and HMC-1 mast cells.
Mol. Pharmacol., 56 (4): 705-13. [PMID:10496952]
5. Ongini E, Dionisotti S, Gessi S, Irenius E, Fredholm BB. (1999)
Comparison of CGS 15943, ZM 241385 and SCH 58261 as antagonists at human adenosine receptors.
Naunyn Schmiedebergs Arch. Pharmacol., 359 (1): 7-10. [PMID:9933143]
6. Stewart M, Steinig AG, Ma C, Song JP, McKibben B, Castelhano AL, MacLennan SJ. (2004)
[3H]OSIP339391, a selective, novel, and high affinity antagonist radioligand for adenosine A2B receptors.
Biochem. Pharmacol., 68 (2): 305-12. [PMID:15194002]