Drug Information

Drug General Information
Drug ID
D08RTR
Former ID
DNC012112
Drug Name
[des-His1,Tyr5,Glu9,D-Ala10]glucagon-NH2
Indication Discovery agent Investigative [534147]
Structure
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2D MOL

3D MOL
Formula
C147H219N41O46S
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(C)NC(=O)C(CCC<br />(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(<br />=O)C(CC6=CC=C(C=C6)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CO<br />)N
InChI
1S/C147H219N41O46S/c1-70(2)54-95(131(220)172-94(49-53-235-11)130(219)180-102(61-111(153)200)140(229)187-117(75(9)193)119(154)208)175-135(224)101(60-81-64-161-86-29-19-18-28-84(81)86)179-129(218)92(43-47-110(152)199)173-144(233)116(72(5)6)186-138(227)99(56-77-24-14-12-15-25-77)178-136(225)103(62-114(204)205)181-128(217)91(42-46-109(151)198)166-120(209)73(7)163-124(213)88(31-22-51-159-146(155)156)168-126(215)89(32-23-52-160-147(157)158)170-142(231)106(68-191)184-137(226)104(63-115(206)207)182-132(221)96(55-71(3)4)174-134(223)98(59-80-35-39-83(196)40-36-80)176-127(216)87(30-20-21-50-148)169-141(230)105(67-190)183-121(210)74(8)164-125(214)93(44-48-113(202)203)171-143(232)107(69-192)185-145(234)118(76(10)194)188-139(228)100(57-78-26-16-13-17-27-78)177-133(222)97(58-79-33-37-82(195)38-34-79)165-112(201)65-162-123(212)90(41-45-108(150)197)167-122(211)85(149)66-189/h12-19,24-29,33-40,64,70-76,85,87-107,116-118,161,189-196H,20-23,30-32,41-63,65-69,148-149H2,1-11H3,(H2,150,197)(H2,151,198)(H2,152,199)(H2,153,200)(H2,154,208)(H,162,212)(H,163,213)(H,164,214)(H,165,201)(H,166,209)(H,167,211)(H,168,215)(H,169,230)(H,170,231)(H,171,232)(H,172,220)(H,173,233)(H,174,223)(H,175,224)(H,176,216)(H,177,222)(H,178,225)(H,179,218)(H,180,219)(H,181,217)(H,182,221)(H,183,210)(H,184,226)(H,185,234)(H,186,227)(H,187,229)(H,188,228)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,159)(H4,157,158,160)/t73-,74-,75+,76+,85-,87-,88-,89-,90-,91-,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-/m0/s1
InChIKey
PSHWUKAXGHEOPB-XGBCNKCESA-N
PubChem Compound ID
44460671
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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