Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0P5VL
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| Former ID |
DNC006702
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| Drug Name |
Demotensin 1
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
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Download2D MOL |
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| Formula |
C48H85N17O10
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N<br />C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)<br />CNC(=O)C(CNCCN)CNCCN
|
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| InChI |
1S/C48H85N17O10/c1-5-29(4)39(44(72)63-36(46(74)75)23-28(2)3)64-42(70)35(24-30-12-14-32(66)15-13-30)62-43(71)37-11-8-22-65(37)45(73)34(10-7-19-58-48(53)54)61-41(69)33(9-6-18-57-47(51)52)60-38(67)27-59-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,28-29,31,33-37,39,55-56,66H,5-11,16-27,49-50H2,1-4H3,(H,59,68)(H,60,67)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H,74,75)(H4,51,52,57)(H4,53,54,58)/t29?,33?,34-,35-,36-,37-,39-/m0/s1
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| InChIKey |
HMOSHXNVAPZVAT-ZXUDVHGYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Neurotensin receptor type 1 | Target Info | Inhibitor | [1] | |
| 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 1 | J 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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