TTD | Drug: D0X3RW

Drug General Information
Drug ID	D0X3RW
Former ID	DNC006699
Drug Name	Demotensin 4
Indication	Discovery agent		Investigative	[528326]
Structure		Download 2D MOL 3D MOL
Formula	C48H87N17O9
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(CCCN=C(N)N)NC(=O)CN<br />C(=O)C(CNCCN)CNCCN
InChI	1S/C48H87N17O9/c1-29(2)23-36(45(73)74)63-43(71)39(48(3,4)5)64-41(69)35(24-30-12-14-33(66)15-13-30)62-42(70)37-11-8-22-65(37)44(72)34(10-7-19-58-47(53)54)59-27-32(9-6-18-57-46(51)52)61-38(67)28-60-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,29,31-32,34-37,39,55-56,59,66H,6-11,16-28,49-50H2,1-5H3,(H,60,68)(H,61,67)(H,62,70)(H,63,71)(H,64,69)(H,73,74)(H4,51,52,57)(H4,53,54,58)/t32?,34-,35-,36-,37-,39+/m0/s1
InChIKey	GDXILVHURHRHQL-DTKPYEPFSA-N
PubChem Compound ID	44413847
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