Details of the Drug

General Information of Drug (ID: DM28LNV)

Drug Name
5,5-Diphenyl-2-iminohydantoin
Synonyms
CHEMBL291784; 5,5-Diphenyl-2-iminohydantoin; SCHEMBL4237550; 2-amino-3-methyl-5,5-diphenyl-3,5-dihydro-imidazol-4-one; BDBM50300229; 26975-80-4; 2-Imino-3-methyl-5,5-diphenylimidazolidin-4-one; 2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one; 1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine
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): 0 Molecular Weight (mw) 265.31
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H15N3O
IUPAC Name
2-amino-3-methyl-5,5-diphenylimidazol-4-one
Canonical SMILES
CN1C(=O)C(N=C1N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)
InChIKey
RNWLAFWLSSMCLN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15054176
TTD ID
D09SOY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Beta-secretase (BACE) TT8JRS7 NOUNIPROTAC 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
Beta-secretase (BACE) DTT NO-GeName 6.98E-04 1.03 2.84
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Discovery of cyclic acylguanidines as highly potent and selective beta-site amyloid cleaving enzyme (BACE) inhibitors: Part I--inhibitor design and... J Med Chem. 2010 Feb 11;53(3):951-65.