General Information of the Compound
| Compound ID |
CP0873973
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| Compound Name |
(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S,39S,42S,45S,48S,51S,57S)-3-((2S,5S,8S,11S,14S,17S,20S,23S,26S)-11-((1H-indol-3-yl)methyl)-30-amino-8-(2-amino-2-oxoethyl)-20-(3-amino-3-oxopropyl)-5,17-di-sec-butyl-26-carbamoyl-23-((R)-1-hydroxyethyl)-14-isobutyl-3,6,9,12,15,18,21,24-octaoxo-1-phenyl-4,7,10,13,16,19,22,25-octaazatriacontan-2-ylcarbamoyl)-33-(2-amino-2-oxoethyl)-57-(2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)acetamido)-48-benzyl-27-sec-butyl-36-butyl-39-(2-carboxyethyl)-21,42-bis(carboxymethyl)-6-(3-guanidinopropyl)-30-((R)-1-hydroxyethyl)-45,51-bis(hydroxymethyl)-15,24-diisobutyl-9,12-dimethyl-18-(naphthalen-1-ylmethyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56-octadecaoxo-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55-octadecaazanonapentacontane-1,59-dioic acid
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| Structure |
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| Formula |
C160H237N41O47
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| Molecular Weight |
3486.896
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| Canonical SMILES |
CCCCC(NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)NC(Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](C)O)[C@@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@H](C)O
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| InChI |
InChI=1S/C160H237N41O47/c1-18-22-46-98(181-139(228)101(51-53-122(211)212)182-147(236)112(67-124(215)216)193-154(243)116(75-203)196-143(232)105(59-87-37-25-23-26-38-87)187-153(242)115(74-202)178-121(210)73-173-136(225)111(66-123(213)214)177-120(209)72-172-135(224)95(162)63-92-71-169-76-174-92)137(226)190-110(65-119(165)208)152(241)201-131(86(17)205)159(248)199-129(82(13)21-4)157(246)194-103(57-78(7)8)142(231)192-114(69-126(219)220)149(238)188-107(61-90-43-35-42-89-41-29-30-44-93(89)90)144(233)184-102(56-77(5)6)141(230)176-83(14)133(222)175-84(15)134(223)180-99(49-36-55-170-160(167)168)138(227)191-113(68-125(217)218)148(237)186-106(60-88-39-27-24-28-40-88)151(240)198-128(81(12)20-3)156(245)195-109(64-118(164)207)146(235)189-108(62-91-70-171-96-47-32-31-45-94(91)96)145(234)185-104(58-79(9)10)150(239)197-127(80(11)19-2)155(244)183-100(50-52-117(163)206)140(229)200-130(85(16)204)158(247)179-97(132(166)221)48-33-34-54-161/h23-32,35,37-45,47,70-71,76-86,95,97-116,127-131,171,202-205H,18-22,33-34,36,46,48-69,72-75,161-162H2,1-17H3,(H2,163,206)(H2,164,207)(H2,165,208)(H2,166,221)(H,169,174)(H,172,224)(H,173,225)(H,175,222)(H,176,230)(H,177,209)(H,178,210)(H,179,247)(H,180,223)(H,181,228)(H,182,236)(H,183,244)(H,184,233)(H,185,234)(H,186,237)(H,187,242)(H,188,238)(H,189,235)(H,190,226)(H,191,227)(H,192,231)(H,193,243)(H,194,246)(H,195,245)(H,196,232)(H,197,239)(H,198,240)(H,199,248)(H,200,229)(H,201,241)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H4,167,168,170)/t80-,81+,82-,83-,84-,85-,86-,95-,97-,98?,99-,100+,101+,102-,103+,104+,105+,106-,107?,108+,109-,110+,111+,112+,113-,114+,115+,116+,127+,128-,129+,130+,131+/m0/s1
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| InChIKey |
LDCVSMFHMFSLDH-ZMHCSVTMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01356, Glucagon-like peptide 1 receptor
Protein ID: PT05688, Glucagon-like peptide 2 receptor