Details of the Drug

General Information of Drug (ID: DMJVN89)

• Drug Name: AEB07

Indication

Disease Entry	ICD 11	Status	REF
Transplant rejection	NE84	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 1078.3
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 19
  Hydrogen Bond Donor Count; 6
  Hydrogen Bond Acceptor Count; 17
• Chemical Identifiers:
  Formula: C52H71N9O12S2
  IUPAC Name: 2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;(3S)-3-[[2-[(3S)-3-[2-[5-ethyl-6-(methylamino)pyridin-2-yl]ethyl]-2-oxopyrrolidin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoic acid;methanesulfonic acid
  Canonical SMILES: CCC1=C(N=C(C=C1)CC[C@H]2CCN(C2=O)CC(=O)N[C@@H](CC(=O)O)C3=CN=CC=C3)NC.CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N.CS(=O)(=O)O
  InChI: InChI=1S/C27H36N4O5S.C24H31N5O4.CH4O3S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27;1-3-16-6-8-19(27-23(16)25-2)9-7-17-10-12-29(24(17)33)15-21(30)28-20(13-22(31)32)18-5-4-11-26-14-18;1-5(2,3)4/h4-12,22H,13-19,28H2,1-3H3,(H,29,33);4-6,8,11,14,17,20H,3,7,9-10,12-13,15H2,1-2H3,(H,25,27)(H,28,30)(H,31,32);1H3,(H,2,3,4)/t22-;17-,20-;/m10./s1
  InChIKey: XAOWMNBAVQDQSR-WQDYQDSXSA-N
• Cross-matching ID:
  PubChem CID: 9963383
  TTD ID: D0LA1R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase C (PRKC)	TTYVX59	NOUNIPROTAC	Inhibitor	[1]

References

• [1] What's next in the pipeline. Am J Transplant. 2008 Oct;8(10):1972-81.
• [2] Characterization of the interaction of hypericin with protein kinase C in U-87 MG human glioma cells. Photochem Photobiol. 2006 May-Jun;82(3):720-8.
• [3] Targeting the protein kinase C family: are we there yet. Nat Rev Cancer. 2007 Jul;7(7):554-62.
• [4] Effect of anti-tumor agents cisplatin and cycloplatam on membrane protein kinase C activity in murine T-lymphocytes. Biokhimiia. 1996 Oct;61(10):1866-73.
• [5] WO patent application no. 2014,0853,81, Pharmaceutical combinations.
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] The role of protein kinase C in the synergistic interaction of safingol and irinotecan in colon cancer cells. Int J Oncol. 2009 Dec;35(6):1463-71.
• [8] Inhibitory effect of glutamate release from rat cerebrocortical synaptosomes by dextromethorphan and its metabolite 3-hydroxymorphinan. Neurochem Int. 2009 Jul;54(8):526-34.
• [9] Changes in Serum Cytokine Profile after AEB071 (Sotrastaurin) or Tacrolimus versus Their Combinations in Rat Heterotopic Cardiac Allografts. J Korean Soc Transplant. 2012 Dec;26(4):248-253.
• [10] Protein kinase C as a molecular target for cancer prevention by selenocompounds. Nutr Cancer. 2001;40(1):55-63.
• [11] Drugs used to treat Parkinson's disease, present status and future directions. CNS Neurol Disord Drug Targets. 2008 Oct;7(4):321-42.