General Information of the Compound
| Compound ID |
CP0388155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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-[[(3S,6S,12S,21S)-21-[N-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[2-[(2S)-5-carbamimidamido-1-hydroxy-1-(2-hydroxy-2-iminoethyl)iminopentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxyhexan-2-yl]-C-hydroxycarbonimidoyl]-2,5,8,11,15-pentahydroxy-6-(3-hydroxy-3-iminopropyl)-3-methyl-1,4,7,10,16-pentazacyclohenicosa-1,4,7,10,15-pentaen-12-yl]imino]-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-2-hydroxyethyl]imino-4-[[2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxyethylidene]amino]-5-hydroxypentanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
C[Glu21-Lys25][Gly8]GLP-1(7-37)-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C153H232N42O45
|
||||||||||||||||||
| Molecular Weight |
3379.788
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](C)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
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C153H232N42O45/c1-15-80(10)124(150(238)172-82(12)128(216)181-107(62-88-65-164-93-36-23-22-35-91(88)93)140(228)183-103(58-77(4)5)141(229)192-122(78(6)7)148(236)180-95(37-24-27-53-154)131(219)167-69-116(206)173-94(40-30-56-163-153(159)160)130(218)165-67-113(158)203)194-142(230)105(59-85-31-18-16-19-32-85)184-137(225)101(48-52-120(211)212)179-136(224)97(38-25-28-54-155)177-135(223)96-39-26-29-55-162-114(204)50-46-99(133(221)168-70-117(207)175-100(45-49-112(157)202)134(222)171-81(11)127(215)176-96)178-138(226)102(57-76(2)3)182-139(227)104(61-87-41-43-90(201)44-42-87)185-145(233)109(72-196)188-147(235)111(74-198)189-149(237)123(79(8)9)193-144(232)108(64-121(213)214)186-146(234)110(73-197)190-152(240)126(84(14)200)195-143(231)106(60-86-33-20-17-21-34-86)187-151(239)125(83(13)199)191-118(208)71-169-132(220)98(47-51-119(209)210)174-115(205)68-166-129(217)92(156)63-89-66-161-75-170-89/h16-23,31-36,41-44,65-66,75-84,92,94-111,122-126,164,196-201H,15,24-30,37-40,45-64,67-74,154-156H2,1-14H3,(H2,157,202)(H2,158,203)(H,161,170)(H,162,204)(H,165,218)(H,166,217)(H,167,219)(H,168,221)(H,169,220)(H,171,222)(H,172,238)(H,173,206)(H,174,205)(H,175,207)(H,176,215)(H,177,223)(H,178,226)(H,179,224)(H,180,236)(H,181,216)(H,182,227)(H,183,228)(H,184,225)(H,185,233)(H,186,234)(H,187,239)(H,188,235)(H,189,237)(H,190,240)(H,191,208)(H,192,229)(H,193,232)(H,194,230)(H,195,231)(H,209,210)(H,211,212)(H,213,214)(H4,159,160,163)/t80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-,126-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOGYXVBERDYIBU-ZKFPJBBCSA-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