Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H7EB
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| Former ID |
DNC009367
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| Drug Name |
H-Arg-Arg-Pro-Tyr-N-Me-Ile-Leu-OH
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| Synonyms |
CHEMBL503059; H-Arg-Arg-Pro-Tyr-N-Me-Ile-Leu-OH
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C39H66N12O8
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)N(C)C(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N
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| 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
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| InChIKey |
AGCKRBKIEACUSP-VGPFALITSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| 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 | |||
|---|---|---|---|---|
| REF 1 | Novel insights into GPCR-peptide interactions: mutations in extracellular loop 1, ligand backbone methylations and molecular modeling of neurotensi... Bioorg Med Chem. 2008 Oct 15;16(20):9359-68. | |||
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