Details of the Drug

General Information of Drug (ID: DM4Z15M)

• Drug Name: 8-Octyl-benzolactam-V9
• Synonyms: CHEMBL206866; 8-Octyl-benzolactam-V9; 8-Octylbenzolactam-V9

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 388.6
  Topological Polar Surface Area (xlogp); 6.6
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C24H40N2O2
  IUPAC Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-8-octyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one
  Canonical SMILES: CCCCCCCCC1=C2CC[C@H](NC(=O)[C@@H](N(C2=CC=C1)C)C(C)C)CO
  InChI: InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
  InChIKey: IDVIOLNZWSXZGL-REWPJTCUSA-N
• Cross-matching ID:
  PubChem CID: 11574614
  TTD ID: D04AXH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PKC-delta messenger RNA (PRKCD mRNA)	TT7A1BO	KPCD_HUMAN	Inhibitor	[1]
PKC-epsilon messenger RNA (PRKCE mRNA)	TT57MT2	KPCE_HUMAN	Inhibitor	[1]
PKC-eta messenger RNA (PRKCH mRNA)	TTONI0R	KPCL_HUMAN	Inhibitor	[1]
PKC-theta messenger RNA (PRKCQ mRNA)	TT1MS7X	KPCT_HUMAN	Inhibitor	[1]
Protein kinase C gamma (PRKCG)	TTRFOXJ	KPCG_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Protein kinase C gamma (PRKCG)	DTT	PRKCG	9.42E-04	0.06	0.3

References

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• [16] First generation 5-vinyl-3-pyridinecarbonitrile PKCtheta inhibitors. Bioorg Med Chem Lett. 2009 Oct 15;19(20):5829-32.
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