TTD | Drug: D05RRF

Drug General Information
Drug ID	D05RRF
Former ID	DNC007587
Drug Name	Cyclic LVVYPWT
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528976]
Structure		Download 2D MOL 3D MOL
Formula	C45H62N8O9
Canonical SMILES	CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=<br />O)NC(C(=O)N1)C(C)O)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O)C<br />(C)C)C(C)C
InChI	1S/C45H62N8O9/c1-23(2)19-32-39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)45(62)53-18-10-13-35(53)41(58)47-33(40(57)52-38(26(7)54)44(61)48-32)21-28-22-46-31-12-9-8-11-30(28)31/h8-9,11-12,14-17,22-26,32-38,46,54-55H,10,13,18-21H2,1-7H3,(H,47,58)(H,48,61)(H,49,59)(H,50,56)(H,51,60)(H,52,57)/t26-,32+,33+,34+,35+,36+,37+,38+/m1/s1
InChIKey	COEPOBZXGUREGL-BYZYSQTKSA-N
PubChem Compound ID	17756317
Target and Pathway
Target(s)	P2X purinoceptor 3	Target Info	Inhibitor	[528976]
KEGG Pathway	Calcium signaling pathway
KEGG Pathway	Neuroactive ligand-receptor interaction
References
Ref 528976	J Med Chem. 2007 Sep 6;50(18):4543-7. Epub 2007 Aug 3.Structure-activity relationship studies of spinorphin as a potent and selective human P2X(3) receptor antagonist.
Ref 528976	J Med Chem. 2007 Sep 6;50(18):4543-7. Epub 2007 Aug 3.Structure-activity relationship studies of spinorphin as a potent and selective human P2X(3) receptor antagonist.

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Drug Information