Drug Information

Drug General Information
Drug ID
D0B4SQ
Former ID
DNC009365
Drug Name
H-Arg-Arg-Pro-Tyr-Ile-Aac-OH
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529709]
Structure
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2D MOL

3D MOL
Formula
C43H68N12O8
Canonical SMILES
CCC(C)C(C(=O)NC1(C2CC3CC(C2)CC1C3)C(=O)O)NC(=O)C(CC4=CC<br />=C(C=C4)O)NC(=O)C5CCCN5C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C<br />(N)N)N
InChI
1S/C43H68N12O8/c1-3-23(2)34(38(60)54-43(40(62)63)27-18-25-17-26(20-27)21-28(43)19-25)53-36(58)32(22-24-10-12-29(56)13-11-24)52-37(59)33-9-6-16-55(33)39(61)31(8-5-15-50-42(47)48)51-35(57)30(44)7-4-14-49-41(45)46/h10-13,23,25-28,30-34,56H,3-9,14-22,44H2,1-2H3,(H,51,57)(H,52,59)(H,53,58)(H,54,60)(H,62,63)(H4,45,46,49)(H4,47,48,50)/t23-,25?,26?,27?,28?,30-,31-,32-,33-,34-,43?/m0/s1
InChIKey
CMCIRTPGPAKLJS-YTNDVNQYSA-N
PubChem Compound ID
44578945
Target and Pathway
Target(s) Neurotensin receptor type 1 Target Info Inhibitor [529709]
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 529709Bioorg Med Chem. 2008 Oct 15;16(20):9359-68. Epub 2008 Aug 27.Novel insights into GPCR-peptide interactions: mutations in extracellular loop 1, ligand backbone methylations and molecular modeling ofneurotensin receptor 1.
Ref 529709Bioorg Med Chem. 2008 Oct 15;16(20):9359-68. Epub 2008 Aug 27.Novel insights into GPCR-peptide interactions: mutations in extracellular loop 1, ligand backbone methylations and molecular modeling ofneurotensin receptor 1.

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