General Information of the Compound
| Compound ID |
CP0465726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(3S,6S,9S,12S,21S)-21-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-6-benzyl-3-[(2S)-butan-2-yl]-9-(2-carboxyethyl)-2,5,8,11,15-pentaoxo-1,4,7,10,16-pentazacyclohenicos-12-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
C[Glu26-Lys30][Gly8]GLP-1(7-37)-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C152H227N41O47
|
||||||||||||||||||
| Molecular Weight |
3380.728
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C152H227N41O47/c1-15-78(10)123-149(238)178-94(134(223)183-105(60-86-63-162-91-34-23-22-33-89(86)91)139(228)180-101(56-75(4)5)140(229)190-121(76(6)7)147(236)177-93(35-24-26-52-153)130(219)165-67-114(204)171-92(37-28-54-161-152(157)158)129(218)163-65-111(156)201)36-25-27-53-160-112(202)48-43-98(135(224)176-99(46-51-119(211)212)136(225)181-103(141(230)192-123)57-83-29-18-16-19-30-83)174-127(216)80(12)169-126(215)79(11)170-133(222)97(42-47-110(155)200)173-115(205)68-166-132(221)96(45-50-118(209)210)175-137(226)100(55-74(2)3)179-138(227)102(59-85-38-40-88(199)41-39-85)182-144(233)107(70-194)186-146(235)109(72-196)187-148(237)122(77(8)9)191-143(232)106(62-120(213)214)184-145(234)108(71-195)188-151(240)125(82(14)198)193-142(231)104(58-84-31-20-17-21-32-84)185-150(239)124(81(13)197)189-116(206)69-167-131(220)95(44-49-117(207)208)172-113(203)66-164-128(217)90(154)61-87-64-159-73-168-87/h16-23,29-34,38-41,63-64,73-82,90,92-109,121-125,162,194-199H,15,24-28,35-37,42-62,65-72,153-154H2,1-14H3,(H2,155,200)(H2,156,201)(H,159,168)(H,160,202)(H,163,218)(H,164,217)(H,165,219)(H,166,221)(H,167,220)(H,169,215)(H,170,222)(H,171,204)(H,172,203)(H,173,205)(H,174,216)(H,175,226)(H,176,224)(H,177,236)(H,178,238)(H,179,227)(H,180,228)(H,181,225)(H,182,233)(H,183,223)(H,184,234)(H,185,239)(H,186,235)(H,187,237)(H,188,240)(H,189,206)(H,190,229)(H,191,232)(H,192,230)(H,193,231)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,157,158,161)/t78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,121-,122-,123-,124-,125-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JGAQRLVKKDZZTH-KXYXCEFHSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound