TTD | Drug: D0T1IK

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	24850666
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
Reactome	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 527773	J 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 527773	J 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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.

Drug Information