Drug Information
Drug General Information | Top | |||
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Drug ID |
D0V4HB
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Former ID |
DNC006701
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Drug Name |
Demotensin 2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C48H87N15O9
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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)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN
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InChI |
1S/C48H87N15O9/c1-5-31(4)41(45(69)61-38(47(71)72)24-30(2)3)62-43(67)37(25-32-13-15-35(64)16-14-32)60-44(68)39-12-9-23-63(39)46(70)36(11-8-20-56-48(52)53)57-28-34(10-6-7-17-49)59-40(65)29-58-42(66)33(26-54-21-18-50)27-55-22-19-51/h13-16,30-31,33-34,36-39,41,54-55,57,64H,5-12,17-29,49-51H2,1-4H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t31-,34?,36-,37-,38-,39-,41-/m0/s1
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InChIKey |
DMDCNLGMRLTMHD-PLXGHWBHSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Neurotensin receptor type 1 (NTSR1) | 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 | Top | |||
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REF 1 | Toward stable N4-modified neurotensins for NTS1-receptor-targeted tumor imaging with 99mTc. J Med Chem. 2006 Jul 27;49(15):4767-76. |
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