Drug General Information
Drug ID
D03EHS
Former ID
DNC014729
Drug Name
Boc-D-Glu-Tyr(SO3H)-Nle-D-Lys-Trp-Nle-Asp-Phe-NH2
Indication Discovery agent Investigative [533338]
Structure
Download
2D MOL

3D MOL

Formula
C61H85N11O18S
Canonical SMILES
CCCCC(C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(<br />CCCC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)<br />C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CCC(=O)O)NC(=O)OC(C<br />)(C)C
InChI
1S/C61H85N11O18S/c1-6-8-20-42(66-57(82)47(32-37-24-26-39(27-25-37)90-91(86,87)88)69-56(81)45(28-29-50(73)74)72-60(85)89-61(3,4)5)53(78)65-44(23-15-16-30-62)55(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46(52(63)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64H,6-9,15-16,20-21,23,28-34,62H2,1-5H3,(H2,63,77)(H,65,78)(H,66,82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,73,74)(H,75,76)(H,86,87,88)/t42-,43-,44-,45+,46-,47-,48-,49-/m0/s1
InChIKey
NLVKBXFAISROGJ-LMZFJFGWSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Inhibitor [533338]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretion
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
References
Ref 533338J Med Chem. 1989 Jun;32(6):1184-90.Synthesis and binding affinities of cyclic and related linear analogues of CCK8 selective for central receptors.
Ref 533338J Med Chem. 1989 Jun;32(6):1184-90.Synthesis and binding affinities of cyclic and related linear analogues of CCK8 selective for central receptors.

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