Drug Information

Drug General Information
Drug ID
D0H7EB
Former ID
DNC009367
Drug Name
H-Arg-Arg-Pro-Tyr-N-Me-Ile-Leu-OH
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529709]
Structure
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2D MOL

3D MOL
Formula
C39H66N12O8
Canonical SMILES
CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)N(C)C(=O)C(CC1=CC=C(C=C1)<br />O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N
InChI
1S/C39H66N12O8/c1-6-23(4)31(34(55)49-29(37(58)59)20-22(2)3)50(5)35(56)28(21-24-13-15-25(52)16-14-24)48-33(54)30-12-9-19-51(30)36(57)27(11-8-18-46-39(43)44)47-32(53)26(40)10-7-17-45-38(41)42/h13-16,22-23,26-31,52H,6-12,17-21,40H2,1-5H3,(H,47,53)(H,48,54)(H,49,55)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
InChIKey
AGCKRBKIEACUSP-VGPFALITSA-N
PubChem Compound ID
44578944
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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