Drug Information

Drug General Information
Drug ID
D07SIV
Former ID
DNC012090
Drug Name
[des-His1,Tyr5,Glu9]glucagon-NH2
Indication Discovery agent Investigative [534147]
Structure
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2D MOL

3D MOL
Formula
C153H223N41O47S
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(CC7=CC=C(C=C7)O)NC(=O)CNC(=O)C(CCC(=<br />O)N)NC(=O)C(CO)N
InChI
1S/C153H223N41O47S/c1-74(2)57-100(136(226)177-99(52-56-242-10)135(225)186-108(65-117(159)207)146(236)193-123(78(8)199)125(160)215)180-141(231)107(64-85-68-167-91-28-18-17-27-89(85)91)185-133(223)97(46-50-116(158)206)178-150(240)122(76(5)6)192-144(234)105(59-80-23-13-11-14-24-80)184-142(232)109(66-120(211)212)187-132(222)96(45-49-115(157)205)171-126(216)77(7)169-129(219)93(30-21-54-165-152(161)162)173-130(220)94(31-22-55-166-153(163)164)175-148(238)112(72-197)190-143(233)110(67-121(213)214)188-137(227)101(58-75(3)4)179-139(229)103(62-83-34-40-87(202)41-35-83)181-131(221)92(29-19-20-53-154)174-147(237)111(71-196)189-140(230)104(63-84-36-42-88(203)43-37-84)182-134(224)98(47-51-119(209)210)176-149(239)113(73-198)191-151(241)124(79(9)200)194-145(235)106(60-81-25-15-12-16-26-81)183-138(228)102(61-82-32-38-86(201)39-33-82)170-118(208)69-168-128(218)95(44-48-114(156)204)172-127(217)90(155)70-195/h11-18,23-28,32-43,68,74-79,90,92-113,122-124,167,195-203H,19-22,29-31,44-67,69-73,154-155H2,1-10H3,(H2,156,204)(H2,157,205)(H2,158,206)(H2,159,207)(H2,160,215)(H,168,218)(H,169,219)(H,170,208)(H,171,216)(H,172,217)(H,173,220)(H,174,237)(H,175,238)(H,176,239)(H,177,226)(H,178,240)(H,179,229)(H,180,231)(H,181,221)(H,182,224)(H,183,228)(H,184,232)(H,185,223)(H,186,225)(H,187,222)(H,188,227)(H,189,230)(H,190,233)(H,191,241)(H,192,234)(H,193,236)(H,194,235)(H,209,210)(H,211,212)(H,213,214)(H4,161,162,165)(H4,163,164,166)/t77-,78?,79+,90-,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-/m0/s1
InChIKey
SNCODYSDFYHLPQ-MBYQMCMRSA-N
PubChem Compound ID
44460796
Target and Pathway
Target(s) Glucagon receptor Target Info Inhibitor [534147]
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 534147J Med Chem. 1996 Jun 21;39(13):2449-55.Topographical amino acid substitution in position 10 of glucagon leads to antagonists/partial agonists with greater binding differences.
Ref 534147J Med Chem. 1996 Jun 21;39(13):2449-55.Topographical amino acid substitution in position 10 of glucagon leads to antagonists/partial agonists with greater binding differences.

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