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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 388.6
Logarithm of the Partition Coefficient (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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design and synthesis of 8-octyl-benzolactam-V9, a selective activator for protein kinase C epsilon and eta. J Med Chem. 2006 May 4;49(9):2681-8.