TTD | Drug: D0V4HB

Drug General Information
Drug ID	D0V4HB
Former ID	DNC006701
Drug Name	Demotensin 2
Indication	Discovery agent		Investigative	[528326]
Structure		Download 2D MOL 3D MOL
Formula	C48H87N15O9
Canonical SMILES	CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N<br />C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(<br />CNCCN)CNCCN
InChI	1S/C48H87N15O9/c1-5-31(4)41(45(69)61-38(47(71)72)24-30(2)3)62-43(67)37(25-32-13-15-35(64)16-14-32)60-44(68)39-12-9-23-63(39)46(70)36(11-8-20-56-48(52)53)57-28-34(10-6-7-17-49)59-40(65)29-58-42(66)33(26-54-21-18-50)27-55-22-19-51/h13-16,30-31,33-34,36-39,41,54-55,57,64H,5-12,17-29,49-51H2,1-4H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t31?,34?,36-,37-,38-,39-,41-/m0/s1
InChIKey	DMDCNLGMRLTMHD-UPDASQLUSA-N
PubChem Compound ID	44413845
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