Drug General Information
Drug ID
D0Z6UE
Former ID
DNC007584
Drug Name
AVVYPWT
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528976]
Structure
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2D MOL

3D MOL

Formula
C42H58N8O10
Canonical SMILES
CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCC<br />C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C(C)O)C(=O)O)NC(=O<br />)C(C)N
InChI
1S/C42H58N8O10/c1-21(2)33(48-40(57)34(22(3)4)47-36(53)23(5)43)39(56)46-31(18-25-13-15-27(52)16-14-25)41(58)50-17-9-12-32(50)38(55)45-30(37(54)49-35(24(6)51)42(59)60)19-26-20-44-29-11-8-7-10-28(26)29/h7-8,10-11,13-16,20-24,30-35,44,51-52H,9,12,17-19,43H2,1-6H3,(H,45,55)(H,46,56)(H,47,53)(H,48,57)(H,49,54)(H,59,60)/t23-,24+,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey
JZZWLFSCHMSJQR-XXWLAZNXSA-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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