Natural Product (NP) Details
| General Information of the NP (ID: NP0708) | |||||
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| Name |
Semaglutide
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| Synonyms |
Semaglutide; NN9535; Ozempic; 910463-68-2; Unknown (acetate); NN 9535; NNC 0113-0217; NN-9535; Semaglutide [USAN:INN]; Sermaglutide; Rybelsus; Rybelsus (oral semaglutide); GTPL9724; Ozempic (injectable semaglutide); CHEBI:167574; EX-A2424; AC-32580; NNC-0113-0217; Rybelsus;Ozempic;NN9535;OG217SC;NNC 0113-0217
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| Species Origin | Heloderma suspectum ... | Click to Show/Hide | |||
| Heloderma suspectum | |||||
| Disease | Type 2 diabetes mellitus [ICD-11: 5A11] | Approved | [1] | ||
| Structure |
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| Formula |
C187H291N45O59
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| PubChem CID | |||||
| Canonical SMILES |
CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC6=CN=CN6)N
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| InChI |
1S/C187H291N45O59/c1-18-105(10)154(180(282)208-108(13)159(261)216-133(86-114-89-200-119-50-40-39-49-117(114)119)170(272)218-129(82-102(4)5)171(273)228-152(103(6)7)178(280)215-121(53-44-72-199-186(192)193)162(264)201-91-141(242)209-120(52-43-71-198-185(190)191)161(263)204-94-151(257)258)230-172(274)131(83-111-45-33-31-34-46-111)219-167(269)126(64-69-149(253)254)214-166(268)122(51-41-42-70-195-144(245)98-290-79-78-289-76-74-197-145(246)99-291-80-77-288-75-73-196-139(240)66-61-127(183(285)286)211-140(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-146(247)248)212-158(260)107(12)206-157(259)106(11)207-165(267)125(60-65-138(189)239)210-142(243)92-202-163(265)123(62-67-147(249)250)213-168(270)128(81-101(2)3)217-169(271)130(85-113-56-58-116(238)59-57-113)220-175(277)135(95-233)223-177(279)137(97-235)224-179(281)153(104(8)9)229-174(276)134(88-150(255)256)221-176(278)136(96-234)225-182(284)156(110(15)237)231-173(275)132(84-112-47-35-32-36-48-112)222-181(283)155(109(14)236)227-143(244)93-203-164(266)124(63-68-148(251)252)226-184(287)187(16,17)232-160(262)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,245)(H,196,240)(H,197,246)(H,201,264)(H,202,265)(H,203,266)(H,204,263)(H,206,259)(H,207,267)(H,208,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1
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| InChIKey |
DLSWIYLPEUIQAV-CCUURXOWSA-N
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| CAS Number |
CAS 910463-68-2
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| ChEBI ID | |||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Rosiglitazone | Prostate cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Expression | AKT1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL1B | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL6 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | mTOR | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | PIK3CB | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | TNF | Molecule Info |
Pathway MAP
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| Biological
Regulation |
Increase | ROS accumulation | ||||
| In-vivo Model | Fifty healthy male Sprague-Dawley (SD) rats with eight-week-old and body weight of 200.0 +/- 18.4 g were used in this study. | |||||
| Experimental
Result(s) |
Combined semaglutide with RSG exhibited synergistically protective efficacies on retinal cells by decreasing the GFAP expression, inhibiting oxidative stress and PI3K/Akt/MTOR signaling-transduction in DR model rats. | |||||
| Target and Pathway | ||||
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| Target(s) | Glucagon-like peptide 1 receptor (GLP1R) | Molecule Info | [3] | |
| KEGG Pathway | cAMP signaling pathway | Click to Show/Hide | ||
| 2 | Neuroactive ligand-receptor interaction | |||
| 3 | Insulin secretion | |||
| Reactome | Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | Click to Show/Hide | ||
| 2 | G alpha (s) signalling events | |||
| 3 | Glucagon-type ligand receptors | |||
| WikiPathways | GPCRs, Class B Secretin-like | Click to Show/Hide | ||
| 2 | Integration of energy metabolism | |||
| 3 | GPCR ligand binding | |||
| 4 | GPCR downstream signaling | |||
