Details of the Drug

General Information of Drug (ID: DMSV60C)

• Drug Name: MEDI0382
• Synonyms: Cotadutide; UNII-QL6A9B13HW; QL6A9B13HW; Cotadutide [INN]; Cotadutide [USAN]; MEDI-0382; MEDI 0382 [WHO-DD]; 1686108-82-6; His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp-Lys-(gamma-glupalmitoyl)-Ser-Glu-Tyr-Leu-Asp-Ser-Glu-Arg-Ala-Arg-Asp- Phe-Val-Ala-Trp-Leu-Glu-Ala-Gly-Gly; Glycine, L-histidyl-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-N6-(N-(1-oxotetradecyl)-L-gamma-glutamyl)-L-lysyl-L-seryl-L-alpha-glutamyl-L-tyrosyl-L-leucyl-L-alpha-aspartyl-L-seryl-L-alpha-glutamyl

Indication

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

• #Ro5 Violations (Lipinski): 5:
  Molecular Weight (mw); 3728
  Logarithm of the Partition Coefficient (xlogp); -7.9
  Rotatable Bond Count (rotbonds); 132
  Hydrogen Bond Donor Count (hbonddonor); 56
  Hydrogen Bond Acceptor Count (hbondacc); 59
• Chemical Identifiers:
  Formula: C167H252N42O55
  IUPAC Name: (2S)-5-[[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-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-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
  Canonical SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O)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)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CNC=N6)N)C(=O)O
  InChI: InChI=1S/C167H252N42O55/c1-13-14-15-16-17-18-19-20-21-22-23-24-31-47-125(219)186-109(165(263)264)53-58-124(218)175-62-35-34-44-102(189-153(251)116(72-131(228)229)201-161(259)122(83-213)206-164(262)137(92(12)215)209-157(255)114(68-94-40-29-26-30-41-94)202-163(261)136(91(11)214)207-127(221)78-181-142(240)105(52-57-123(169)217)190-158(256)119(80-210)203-141(239)100(168)71-97-76-174-84-182-97)146(244)204-120(81-211)159(257)193-108(56-61-130(226)227)148(246)197-112(69-95-48-50-98(216)51-49-95)151(249)195-111(66-86(4)5)150(248)200-118(74-133(232)233)155(253)205-121(82-212)160(258)192-107(55-60-129(224)225)147(245)188-103(45-36-63-176-166(170)171)143(241)184-89(9)139(237)187-104(46-37-64-177-167(172)173)145(243)199-117(73-132(230)231)154(252)198-113(67-93-38-27-25-28-39-93)156(254)208-135(87(6)7)162(260)185-90(10)140(238)194-115(70-96-75-178-101-43-33-32-42-99(96)101)152(250)196-110(65-85(2)3)149(247)191-106(54-59-128(222)223)144(242)183-88(8)138(236)180-77-126(220)179-79-134(234)235/h25-30,32-33,38-43,48-51,75-76,84-92,100,102-122,135-137,178,210-216H,13-24,31,34-37,44-47,52-74,77-83,168H2,1-12H3,(H2,169,217)(H,174,182)(H,175,218)(H,179,220)(H,180,236)(H,181,240)(H,183,242)(H,184,241)(H,185,260)(H,186,219)(H,187,237)(H,188,245)(H,189,251)(H,190,256)(H,191,247)(H,192,258)(H,193,257)(H,194,238)(H,195,249)(H,196,250)(H,197,246)(H,198,252)(H,199,243)(H,200,248)(H,201,259)(H,202,261)(H,203,239)(H,204,244)(H,205,253)(H,206,262)(H,207,221)(H,208,254)(H,209,255)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,263,264)(H4,170,171,176)(H4,172,173,177)/t88-,89-,90-,91+,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,135-,136-,137-/m0/s1
  InChIKey: YEKUUBPJRPXMBM-PTCFZACGSA-N
• Cross-matching ID:
  PubChem CID: 134694273
  CAS Number: 1686108-82-6
  TTD ID: D0MO0J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucagon (GCG)	TT0NUFM	GLUC_HUMAN	Agonist	[2]

References

• [1] ClinicalTrials.gov (NCT03596177) A Study to Evaluate the Effect of MEDI0382 on Energy Balance in Overweight and Obese Participants With Type 2 Diabetes Mellitus. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)