Drug General Information
Drug ID
D0X3RW
Former ID
DNC006699
Drug Name
Demotensin 4
Indication Discovery agent Investigative [528326]
Structure
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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
Target and Pathway
Target(s) Neurotensin receptor type 1 Target Info Inhibitor [528326]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Reactome Peptide ligand-binding receptors
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 528326J Med Chem. 2006 Jul 27;49(15):4767-76.Toward stable N4-modified neurotensins for NTS1-receptor-targeted tumor imaging with 99mTc.
Ref 528326J 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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