Details of the Drug

General Information of Drug (ID: DM1JEGF)

Drug Name

Albiglutide

Indication

Disease Entry	ICD 11	Status	REF
Type-2 diabetes	5A11	Approved	[1]
------------------------------------------------------------------------------------

Affected Organisms

Humans and other mammals

ATC Code

A10BJ04: Albiglutide

A10BJ: Glucagon-like peptide-1 (GLP-1) analogues

A10B: BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS

A10: DRUGS USED IN DIABETES

A: ALIMENTARY TRACT AND METABOLISM

Sequence

HGEGTFTSDVSSYLEGQAAKEFIAWLVKGRHGEGTFTSDVSSYLEGQAAKEFIAWLVKGR
DAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAE
NCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEV
DVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLP
KLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTK
VHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPA
DLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKC
CAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVST
PTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTES
LVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKAT
KEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 5

Molecular Weight (mw)

3284.6

Logarithm of the Partition Coefficient (xlogp)

-14

Rotatable Bond Count (rotbonds)

109

Hydrogen Bond Donor Count (hbonddonor)

49

Hydrogen Bond Acceptor Count (hbondacc)

51

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 465 mgh/L []
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 1.74 mg/L []
Clearance: The clearance of drug is 67 mL/h []
Half-life: The concentration or amount of drug in body reduced by one-half in 4 - 7 days [2]
Vd: The volume of distribution (Vd) of drug is 11 L []

Chemical Identifiers

Formula: C148H223N39O46
IUPAC 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-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(1S)-4-carbamimidamido-1-carboxybutyl]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-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-4-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Canonical SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)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)O)NC(=O)[C@H](CC3=CC=CC=C3)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(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC6=CNC=N6)N
InChI: InChI=1S/C148H223N39O46/c1-16-76(10)119(144(229)165-79(13)124(209)173-103(59-85-62-157-90-35-24-23-34-88(85)90)134(219)175-99(55-73(4)5)135(220)184-117(74(6)7)142(227)172-91(36-25-27-51-149)126(211)159-66-111(197)168-97(147(232)233)38-29-53-156-148(153)154)186-136(221)101(56-82-30-19-17-20-31-82)176-131(216)96(46-50-115(203)204)171-130(215)92(37-26-28-52-150)169-123(208)78(12)163-122(207)77(11)164-129(214)95(43-47-108(152)194)167-110(196)65-160-128(213)94(45-49-114(201)202)170-132(217)98(54-72(2)3)174-133(218)100(58-84-39-41-87(193)42-40-84)177-139(224)105(68-188)180-141(226)107(70-190)181-143(228)118(75(8)9)185-138(223)104(61-116(205)206)178-140(225)106(69-189)182-146(231)121(81(15)192)187-137(222)102(57-83-32-21-18-22-33-83)179-145(230)120(80(14)191)183-112(198)67-161-127(212)93(44-48-113(199)200)166-109(195)64-158-125(210)89(151)60-86-63-155-71-162-86/h17-24,30-35,39-42,62-63,71-81,89,91-107,117-121,157,188-193H,16,25-29,36-38,43-61,64-70,149-151H2,1-15H3,(H2,152,194)(H,155,162)(H,158,210)(H,159,211)(H,160,213)(H,161,212)(H,163,207)(H,164,214)(H,165,229)(H,166,195)(H,167,196)(H,168,197)(H,169,208)(H,170,217)(H,171,215)(H,172,227)(H,173,209)(H,174,218)(H,175,219)(H,176,216)(H,177,224)(H,178,225)(H,179,230)(H,180,226)(H,181,228)(H,182,231)(H,183,198)(H,184,220)(H,185,223)(H,186,221)(H,187,222)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,232,233)(H4,153,154,156)/t76-,77-,78-,79-,80+,81+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,117-,118-,119-,120-,121-/m0/s1
InChIKey: OGWAVGNOAMXIIM-VTAHJYCESA-N

Cross-matching ID

PubChem CID: 122173812
ChEBI ID: CHEBI:78425
UNII: 5E7U48495E
DrugBank ID: DB09043
TTD ID: D0F1DY
ACDINA ID: D00815

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucagon-like peptide 1 receptor (GLP1R)	TTVIMDE	GLP1R_HUMAN	Modulator	[3]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Type-2 diabetes

ICD Disease Classification

5A11

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glucagon-like peptide 1 receptor (GLP1R)	DTT	GLP1R	1.25E-01	0.17	1.26

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Mannitol	E00103	6251	Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
--------------------

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Albiglutide 30mg injectable	30mg	Injectable	Injection

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7386).
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	GLP-1 receptor agonists for individualized treatment of type 2 diabetes mellitus.Nat Rev Endocrinol.2012 Dec;8(12):728-42.