TTD | Drug: D0N4RF

Drug General Information
Drug ID	D0N4RF
Former ID	DNC006700
Drug Name	Demotensin 3
Indication	Discovery agent		Investigative	[528326]
Structure		Download 2D MOL 3D MOL
Formula	C48H87N15O9
Canonical SMILES	CC(C)CC(C(=O)O)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CC=C(C=C1)O<br />)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)<br />C(CNCCN)CNCCN
InChI	1S/C48H87N15O9/c1-30(2)24-37(46(71)72)61-44(69)40(48(3,4)5)62-42(67)36(25-31-13-15-34(64)16-14-31)60-43(68)38-12-9-23-63(38)45(70)35(11-8-20-56-47(52)53)57-28-33(10-6-7-17-49)59-39(65)29-58-41(66)32(26-54-21-18-50)27-55-22-19-51/h13-16,30,32-33,35-38,40,54-55,57,64H,6-12,17-29,49-51H2,1-5H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t33?,35-,36-,37-,38-,40+/m0/s1
InChIKey	XXQNJIPZSZMHCW-FZJJICHOSA-N
PubChem Compound ID	44413846
Target and Pathway
Target(s)	Neurotensin receptor type 1	Target Info	Inhibitor	[528326]
KEGG Pathway	Calcium signaling pathway
KEGG Pathway	Neuroactive ligand-receptor interaction
Reactome	Peptide ligand-binding receptors
Reactome	G alpha (q) signalling events
WikiPathways	GPCRs, Class A Rhodopsin-like
	Gastrin-CREB signalling pathway via PKC and MAPK
	Peptide GPCRs
	GPCR ligand binding
	GPCR downstream signaling
	GPCRs, Other
References
Ref 528326	J Med Chem. 2006 Jul 27;49(15):4767-76.Toward stable N4-modified neurotensins for NTS1-receptor-targeted tumor imaging with 99mTc.
Ref 528326	J Med Chem. 2006 Jul 27;49(15):4767-76.Toward stable N4-modified neurotensins for NTS1-receptor-targeted tumor imaging with 99mTc.

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Drug Information