Details of the Drug

General Information of Drug (ID: DMO3XBP)

• Drug Name: Divaplon
• Synonyms: Divaplon; 90808-12-1; UNII-4AOV43246G; 4AOV43246G; Divaplonum; Divaplone; methanone,(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl-; Divaplon [INN]; Divaplonum [INN-Latin]; Divaplone [INN-French]; SCHEMBL678101; CHEMBL281164; ZINC1325; DTXSID40238269; AC1L2418; RU-32698; KB-274411; 6-Ethyl-7-methoxy-5-methylimidazo(1,2-a)pyrimidin-2-yl phenyl ketone; (6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone; Methanone, (6-ethyl-7-methoxy-5-methylimidazo(1,2-a)pyrimidin-2-yl)phenyl-
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 295.34
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H17N3O2
  IUPAC Name: (6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
  Canonical SMILES: CCC1=C(N2C=C(N=C2N=C1OC)C(=O)C3=CC=CC=C3)C
  InChI: InChI=1S/C17H17N3O2/c1-4-13-11(2)20-10-14(18-17(20)19-16(13)22-3)15(21)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
  InChIKey: NRJVHCSYLGLURI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 65822
  CAS Number: 90808-12-1
  TTD ID: D01BCQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] (Imidazo[1,2-a]pyrimidin-2-yl)phenylmethanones and related compounds as potential nonsedative anxiolytics. J Med Chem. 1988 Jun;31(6):1220-6.