Drug Information

Drug General Information
Drug ID
D0V9BB
Former ID
DNC004893
Drug Name
Des-His1[Glu9]glucagon-NH2
Indication Discovery agent Investigative [538684]
Structure
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2D MOL

3D MOL
Formula
C155H230N44O48S
Canonical SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O<br />)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCC(=O)N)NC(=O)C(<br />C(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)C(CCC(<br />=O)N)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC<br />(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=<br />C(C=C4)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC5=CC=C(C=C5<br />)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC<br />6=CC=CC=C6)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)<br />C(CO)NC(=O)C(CC7=CNC=N7)NC
InChI
1S/C155H230N44O48S/c1-74(2)55-100(137(231)180-98(50-54-248-12)135(229)188-107(63-117(160)212)146(240)198-123(78(8)204)126(161)220)183-141(235)106(61-85-66-170-90-30-20-19-29-89(85)90)187-133(227)96(44-48-116(159)211)181-151(245)122(76(5)6)197-144(238)104(57-81-25-15-13-16-26-81)186-142(236)108(64-120(216)217)189-132(226)95(43-47-115(158)210)174-127(221)77(7)173-129(223)92(32-23-52-168-154(162)163)175-130(224)93(33-24-53-169-155(164)165)177-148(242)112(71-202)194-143(237)109(65-121(218)219)190-138(232)101(56-75(3)4)182-139(233)102(59-83-34-38-87(207)39-35-83)184-131(225)91(31-21-22-51-156)176-147(241)111(70-201)193-140(234)103(60-84-36-40-88(208)41-37-84)185-134(228)97(45-49-119(214)215)179-150(244)113(72-203)195-153(247)125(80(10)206)199-145(239)105(58-82-27-17-14-18-28-82)191-152(246)124(79(9)205)196-118(213)68-171-128(222)94(42-46-114(157)209)178-149(243)110(69-200)192-136(230)99(166-11)62-86-67-167-73-172-86/h13-20,25-30,34-41,66-67,73-80,91-113,122-125,166,170,200-208H,21-24,31-33,42-65,68-72,156H2,1-12H3,(H2,157,209)(H2,158,210)(H2,159,211)(H2,160,212)(H2,161,220)(H,167,172)(H,171,222)(H,173,223)(H,174,221)(H,175,224)(H,176,241)(H,177,242)(H,178,243)(H,179,244)(H,180,231)(H,181,245)(H,182,233)(H,183,235)(H,184,225)(H,185,228)(H,186,236)(H,187,227)(H,188,229)(H,189,226)(H,190,232)(H,191,246)(H,192,230)(H,193,234)(H,194,237)(H,195,247)(H,196,213)(H,197,238)(H,198,240)(H,199,239)(H,214,215)(H,216,217)(H,218,219)(H4,162,163,168)(H4,164,165,169)/t77-,78+,79+,80+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-/m0/s1
InChIKey
QAFHHWFRTULWIL-OQZBCNBHSA-N
PubChem Compound ID
44389629
Target and Pathway
Target(s) Glucagon receptor Target Info Inhibitor [527432]
KEGG Pathway Neuroactive ligand-receptor interaction
Glucagon signaling pathway
Reactome Glucagon signaling in metabolic regulation
G alpha (q) signalling events
G alpha (s) signalling events
Glucagon-type ligand receptors
WikiPathways GPCRs, Class B Secretin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Integration of energy metabolism
GPCR ligand binding
GPCR downstream signaling
References
Ref 538684(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: 1150).
Ref 527432Bioorg Med Chem Lett. 2005 Mar 1;15(5):1401-5.Discovery and investigation of a novel class of thiophene-derived antagonists of the human glucagon receptor.

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