Drug Information

Drug General Information
Drug ID
D00UCX
Former ID
DNC009333
Drug Name
HAEGTFTSDVSSYLEGQAAKEIFAWLVKGR
Indication Discovery agent Investigative [529772]
Structure
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2D MOL

3D MOL
Formula
C149H225N39O46
Canonical SMILES
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC2=CNC3<br />=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C<br />(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)<br />C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)CNC(<br />=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC<br />(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O<br />)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)<br />NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC6=CN=CN6)N
InChI
1S/C149H225N39O46/c1-17-76(10)119(145(230)179-101(57-83-31-20-18-21-32-83)133(218)166-80(14)125(210)174-104(60-86-63-158-91-36-25-24-35-89(86)91)136(221)176-100(56-73(4)5)137(222)185-117(74(6)7)143(228)173-92(37-26-28-52-150)127(212)159-66-111(197)168-98(148(233)234)39-30-54-157-149(154)155)187-132(217)97(47-51-115(203)204)172-131(216)93(38-27-29-53-151)169-123(208)78(12)163-122(207)77(11)165-130(215)96(44-48-109(153)195)167-110(196)65-160-129(214)95(46-50-114(201)202)171-134(219)99(55-72(2)3)175-135(220)102(59-85-40-42-88(194)43-41-85)177-140(225)106(68-189)181-142(227)108(70-191)182-144(229)118(75(8)9)186-139(224)105(62-116(205)206)178-141(226)107(69-190)183-147(232)121(82(16)193)188-138(223)103(58-84-33-22-19-23-34-84)180-146(231)120(81(15)192)184-112(198)67-161-128(213)94(45-49-113(199)200)170-124(209)79(13)164-126(211)90(152)61-87-64-156-71-162-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,158,189-194H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,195)(H,156,162)(H,159,212)(H,160,214)(H,161,213)(H,163,207)(H,164,211)(H,165,215)(H,166,218)(H,167,196)(H,168,197)(H,169,208)(H,170,209)(H,171,219)(H,172,216)(H,173,228)(H,174,210)(H,175,220)(H,176,221)(H,177,225)(H,178,226)(H,179,230)(H,180,231)(H,181,227)(H,182,229)(H,183,232)(H,184,198)(H,185,222)(H,186,224)(H,187,217)(H,188,223)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,154,155,157)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
InChIKey
UVENJQHDPZDEHP-KTKZVXAJSA-N
PubChem Compound ID
44588322
Target and Pathway
Target(s) Glucagon-like peptide 1 receptor Target Info Inhibitor [529772]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Reactome Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
G alpha (s) signalling events
Glucagon-type ligand receptors
WikiPathways GPCRs, Class B Secretin-like
Integration of energy metabolism
GPCR ligand binding
GPCR downstream signaling
References
Ref 529772Bioorg Med Chem. 2008 Dec 1;16(23):10106-12. Epub 2008 Oct 5.Search for alpha-helical propensity in the receptor-bound conformation of glucagon-like peptide-1.
Ref 529772Bioorg Med Chem. 2008 Dec 1;16(23):10106-12. Epub 2008 Oct 5.Search for alpha-helical propensity in the receptor-bound conformation of glucagon-like peptide-1.

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