Drug General Information
Drug ID
D0T1IK
Former ID
DNC005822
Drug Name
HYNIC Analogue
Indication Discovery agent Investigative [527773]
Structure
Download
2D MOL

3D MOL

Formula
C53H65N10NaO9S
Canonical SMILES
CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=NN=<br />NN4CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C5=CN=C(C=C5)NN=CC6=CC=<br />CC=C6S(=O)(=O)[O-].[Na+]
InChI
1S/C53H66N10O9S.Na/c1-53(2,26-12-14-32-72-50-38-45(41-17-5-3-6-18-41)37-46(58-50)42-19-7-4-8-20-42)52-60-61-62-63(52)29-13-11-23-49(64)54-27-15-30-69-33-35-71-36-34-70-31-16-28-55-51(65)44-24-25-48(56-39-44)59-57-40-43-21-9-10-22-47(43)73(66,67)68;/h3-10,17-22,24-25,37-40H,11-16,23,26-36H2,1-2H3,(H,54,64)(H,55,65)(H,56,59)(H,66,67,68);/q;+1/p-1/b57-40+;
InChIKey
SELYUKARPPFNBW-MMETXUHKSA-M
PubChem Compound ID
Target and Pathway
Target(s) Leukotriene B4 receptor 1 Target Info Inhibitor [527773]
KEGG Pathway Neuroactive ligand-receptor interaction
NetPath Pathway IL4 Signaling Pathway
Reactome Leukotriene receptors
G alpha (q) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
GPCR ligand binding
GPCR downstream signaling
References
Ref 527773J Med Chem. 2005 Oct 6;48(20):6442-53.Synthesis of leukotriene B4 antagonists labeled with In-111 or Tc-99m to image infectious and inflammatory foci.
Ref 527773J Med Chem. 2005 Oct 6;48(20):6442-53.Synthesis of leukotriene B4 antagonists labeled with In-111 or Tc-99m to image infectious and inflammatory foci.

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