Details of the Drug

General Information of Drug (ID: DMTYO3P)

• Drug Name: U-92032
• Synonyms: U-92032; U 92032; CHEMBL327057; 142223-92-5; AC1L30XY; SCHEMBL195024; DTXSID70161975; BDBM50091592; u92032; 7-((4-(Bis(4-fluorophenyl)methyl)-1-piperazinyl)methyl)-2-((2-hydroxyethyl)amino)-4-(1-methylethylethyl)-2,4,6-cycloheptatrien-1-one; 7-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-ylmethyl}-2-(2-hydroxy-ethylamino)-4-isopropyl-cyclohepta-2,4,6-trienone(U-92032); 2,4,6-Cycloheptatrien-1-one, 7-((4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)methyl)-2-((2-hydroxyethyl)amino)-4-(1-methylethyl)-
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 507.6
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C30H35F2N3O2
  IUPAC Name: 7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
  Canonical SMILES: CC(C)C1=CC=C(C(=O)C(=C1)NCCO)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
  InChI: InChI=1S/C30H35F2N3O2/c1-21(2)24-3-4-25(30(37)28(19-24)33-13-18-36)20-34-14-16-35(17-15-34)29(22-5-9-26(31)10-6-22)23-7-11-27(32)12-8-23/h3-12,19,21,29,36H,13-18,20H2,1-2H3,(H,33,37)
  InChIKey: UVPCKMJVJLKETQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 132417
  CAS Number: 142223-92-5
  TTD ID: D0OW2O

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Inhibitor	[1]
Voltage-gated calcium channel alpha Cav3.2 (CACNA1H)	TTZPWGN	CAC1H_HUMAN	Inhibitor	[1]
Voltage-gated calcium channel alpha Cav3.3 (CACNA1I)	TTQZFTH	CAC1I_HUMAN	Inhibitor	[1]
Voltage-gated sodium channel alpha Nav1.3 (SCN3A)	TTAXZ0K	SCN3A_HUMAN	Inhibitor	[1]

References

• [1] Discovery of (2S)-1-(4-amino-2,3,5- trimethylphenoxy)-3-[4-[4-(4- fluorobenzyl)phenyl]-1-piperazinyl]-2-propanol dimethanesulfonate (SUN N8075): a ... J Med Chem. 2000 Sep 7;43(18):3372-6.