LIRAGLUTIDE

Search structure
Synonyms:
Status: Approved (2010)
Entry Type: Protein
Molecule Category: Parent
ATC: A10BJ02
UNII: 839I73S42A

Structure
InChI Key VXEVKSKAINMPFG-QWUNSSNDSA-N
Smile CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)NCCCC[C@H](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)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](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(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O
InChI
InChI=1S/C172H267N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,128,138-142,180,183,216-221,223H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,128?,138-,139-,140-,141-,142-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C172H267N43O51
Molecular Weight 3753.28
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucagon-like peptide 1 receptor agonist DailyMed
Primary Target
GLP-1 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Glucagon-like receptor Glucagon-like peptide receptor
0-7 - - - -
Unclassified protein
0 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 4 D003924 ClinicalTrials
Diabetes Mellitus, Type 2 4 D003924 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Weight Loss 3 D015431 ClinicalTrials
Obesity 3 D009765 ClinicalTrials
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Diabetic Nephropathies 3 D003928 ClinicalTrials
Glucose Intolerance 3 D018149 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Prediabetic State 3 D011236 ClinicalTrials
Feeding and Eating Disorders 3 D001068 ClinicalTrials
Hyperglycemia 3 D006943 ClinicalTrials
Metabolic Syndrome 3 D024821 ClinicalTrials
Pouchitis 2 D019449 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Smoking Cessation 2 D016540 ClinicalTrials
Short Bowel Syndrome 2 D012778 ClinicalTrials
Sleep Apnea Syndromes 1 D012891 ClinicalTrials
Opioid-Related Disorders 1 D009293 ClinicalTrials

Related Entries

Mixture

Cross References

Resources Reference
CAS NUMBER 204656-20-2
ChEMBL CHEMBL4524066
FDA SRS 839I73S42A
Guide to Pharmacology 1133
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