Drug Information

Drug General Information
Drug ID
D08SYL
Former ID
DNC012078
Drug Name
[des-His1,Tyr5,Glu9,D-Phe10]glucagon-NH2
Indication Discovery agent Investigative [534147]
Structure
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2D MOL

3D MOL
Formula
C153H223N41O46S
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=CC=C5)<br />NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC6=C<br />C=CC=C6)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)CNC(=O)C(CCC(=O)N<br />)NC(=O)C(CO)N
InChI
1S/C153H223N41O46S/c1-75(2)58-100(136(225)177-99(53-57-241-10)135(224)186-108(66-117(159)206)146(235)193-123(79(8)199)125(160)214)180-141(230)107(65-86-69-167-91-33-21-20-32-89(86)91)185-133(222)97(47-51-116(158)205)178-150(239)122(77(5)6)192-144(233)105(61-82-28-16-12-17-29-82)184-142(231)109(67-120(210)211)187-132(221)96(46-50-115(157)204)171-126(215)78(7)169-129(218)93(35-24-55-165-152(161)162)173-130(219)94(36-25-56-166-153(163)164)175-148(237)112(73-197)190-143(232)110(68-121(212)213)188-137(226)101(59-76(3)4)179-139(228)104(64-85-39-43-88(202)44-40-85)181-131(220)92(34-22-23-54-154)174-147(236)111(72-196)189-140(229)103(60-81-26-14-11-15-27-81)182-134(223)98(48-52-119(208)209)176-149(238)113(74-198)191-151(240)124(80(9)200)194-145(234)106(62-83-30-18-13-19-31-83)183-138(227)102(63-84-37-41-87(201)42-38-84)170-118(207)70-168-128(217)95(45-49-114(156)203)172-127(216)90(155)71-195/h11-21,26-33,37-44,69,75-80,90,92-113,122-124,167,195-202H,22-25,34-36,45-68,70-74,154-155H2,1-10H3,(H2,156,203)(H2,157,204)(H2,158,205)(H2,159,206)(H2,160,214)(H,168,217)(H,169,218)(H,170,207)(H,171,215)(H,172,216)(H,173,219)(H,174,236)(H,175,237)(H,176,238)(H,177,225)(H,178,239)(H,179,228)(H,180,230)(H,181,220)(H,182,223)(H,183,227)(H,184,231)(H,185,222)(H,186,224)(H,187,221)(H,188,226)(H,189,229)(H,190,232)(H,191,240)(H,192,233)(H,193,235)(H,194,234)(H,208,209)(H,210,211)(H,212,213)(H4,161,162,165)(H4,163,164,166)/t78-,79+,80+,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
MBFPGOMXVAUTEP-VXJQVJGISA-N
PubChem Compound ID
44460638
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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