General Information of the Compound
| Compound ID |
CP0479798
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(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)-1-[(2-amino-2-oxoethyl)amino]-5-carbamimidamido-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]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S,5S,8S,11S,19S)-19-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-2,5-bis(hydroxymethyl)-8-[(4-hydroxyphenyl)methyl]-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carbonyl]amino]-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C150H224N42O47
|
||||||||||||||||||
| Molecular Weight |
3367.689
|
||||||||||||||||||
| 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](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]1CC(=O)NCCCC[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)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)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/C150H224N42O47/c1-13-75(6)120(147(237)170-79(10)126(216)179-103(59-85-63-161-90-34-21-20-33-88(85)90)137(227)180-99(55-73(2)3)140(230)190-119(74(4)5)146(236)178-92(35-22-25-51-151)129(219)163-66-112(202)171-91(38-28-54-160-150(156)157)128(218)162-65-110(155)200)191-141(231)101(56-82-29-16-14-17-30-82)181-135(225)98(46-50-117(209)210)177-133(223)93(36-23-26-52-152)173-124(214)77(8)167-123(213)76(7)169-132(222)97(43-47-109(154)199)172-113(203)67-164-131(221)96(45-49-116(207)208)176-138(228)104-61-111(201)159-53-27-24-37-94(134(224)186-107(70-194)145(235)187-106(69-193)143(233)182-100(136(226)183-104)58-84-39-41-87(198)42-40-84)175-139(229)105(62-118(211)212)184-144(234)108(71-195)188-149(239)122(81(12)197)192-142(232)102(57-83-31-18-15-19-32-83)185-148(238)121(80(11)196)189-114(204)68-165-130(220)95(44-48-115(205)206)174-125(215)78(9)168-127(217)89(153)60-86-64-158-72-166-86/h14-21,29-34,39-42,63-64,72-81,89,91-108,119-122,161,193-198H,13,22-28,35-38,43-62,65-71,151-153H2,1-12H3,(H2,154,199)(H2,155,200)(H,158,166)(H,159,201)(H,162,218)(H,163,219)(H,164,221)(H,165,220)(H,167,213)(H,168,217)(H,169,222)(H,170,237)(H,171,202)(H,172,203)(H,173,214)(H,174,215)(H,175,229)(H,176,228)(H,177,223)(H,178,236)(H,179,216)(H,180,227)(H,181,225)(H,182,233)(H,183,226)(H,184,234)(H,185,238)(H,186,224)(H,187,235)(H,188,239)(H,189,204)(H,190,230)(H,191,231)(H,192,232)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,156,157,160)/t75-,76-,77-,78-,79-,80+,81+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-,121-,122-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGMKYBBHIPLFFB-YKQDTMQHSA-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
Protein ID: PT01356, Glucagon-like peptide 1 receptor