Drug General Information
Drug ID
D0TR4N
Former ID
DNC007586
Drug Name
LVVAPWT
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528976]
Structure
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2D MOL

3D MOL

Formula
C39H60N8O9
Canonical SMILES
CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)N1CC<br />CC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)O)C(=O)O)N
InChI
1S/C39H60N8O9/c1-19(2)16-26(40)33(49)44-31(21(5)6)37(53)45-30(20(3)4)36(52)42-22(7)38(54)47-15-11-14-29(47)35(51)43-28(34(50)46-32(23(8)48)39(55)56)17-24-18-41-27-13-10-9-12-25(24)27/h9-10,12-13,18-23,26,28-32,41,48H,11,14-17,40H2,1-8H3,(H,42,52)(H,43,51)(H,44,49)(H,45,53)(H,46,50)(H,55,56)/t22-,23+,26-,28-,29-,30-,31-,32-/m0/s1
InChIKey
AHEGGNDTVLEUNO-YIHGEGNXSA-N
PubChem Compound ID
Target and Pathway
Target(s) P2X purinoceptor 3 Target Info Inhibitor [528976]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
References
Ref 528976J 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 528976J 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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