Drug Information

Drug General Information
Drug ID
D02WCJ
Former ID
DNC008786
Drug Name
Neurotensin(8-13)
Drug Type
Small molecular drug
Indication Discovery agent Investigative [542385]
Structure
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2D MOL

3D MOL
Formula
C38H64N12O8
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)O)C(=O)N<br />C(CC(=O)N)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)<br />C(=O)O)NC(=O)C3CCC(=O)N3
InChI
1S/C46H71N13O14/c1-24(2)21-31(56-38(65)27-14-16-36(62)52-27)40(67)57-32(22-25-10-12-26(60)13-11-25)41(68)53-28(15-17-37(63)64)39(66)58-33(23-35(48)61)42(69)54-29(7-3-4-18-47)44(71)59-20-6-9-34(59)43(70)55-30(45(72)73)8-5-19-51-46(49)50/h10-13,24,27-34,60H,3-9,14-23,47H2,1-2H3,(H2,48,61)(H,52,62)(H,53,68)(H,54,69)(H,55,70)(H,56,65)(H,57,67)(H,58,66)(H,63,64)(H,72,73)(H4,49,50,51)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
ZJPYPJIAUOEHJV-LGYYRGKSSA-N
PubChem Compound ID
44363934
Target and Pathway
Target(s) Neurotensin receptor type 1 Target Info Inhibitor [530025]
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 542385(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7363).
Ref 530025J Med Chem. 2009 Apr 9;52(7):1803-13.Comparison of N-terminal modifications on neurotensin(8-13) analogues correlates peptide stability but not binding affinity with in vivo efficacy.

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