Details of the Drug

General Information of Drug (ID: DMC0JN8)

Drug Name
GYKI-53655
Synonyms
GYKI-53655; Gyki 53655; GYKI53655; 1-(4-AMINOPHENYL)-3-METHYLCARBAMOYL-4-METHYL-7,8-METHYLENEDIOXY-3,4-DIHYDRO-5H-2,3-BENZODIAZEPINE; 143692-18-6; CHEMBL267450; LY 300168; SMGACXZFVXKEAX-UHFFFAOYSA-N; AC1L2QV0; GYKI-53655 free base; MLS006010331; SCHEMBL351325; GTPL4209; DTXSID30276296; MolPort-006-418-196; BCP27661; BDBM50048386; ABP000447; NCGC00263113-03; NCGC00263113-01; SMR004701394; LY300168; LY-300168; FT-0765288; LY 300168(GYKI 53655); LY-300168, (+/-)-; 7H-1,3-Dioxolo(4,5-H)(2,3)benzodiazepine-7-carboxamide, 5-(4-aminopheny
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 352.4
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H20N4O3
IUPAC Name
5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
Canonical SMILES
CC1CC2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)N)OCO3
InChI
InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)
InChIKey
SMGACXZFVXKEAX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
126758
CAS Number
143692-18-6
TTD ID
D0M7MW
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Inhibitor [1]
Glutamate receptor AMPA 1 (GRIA1) TTVPQTF GRIA1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA 1 (GRIA1) DTT GRIA1 5.12E-02 -0.4 -0.21
Glutamate receptor AMPA 1 (GRIA1) DTT GRIA1 2.97E-01 -4.20E-03 -0.01
Glutamate receptor AMPA (GRIA) DTT NO-GeName 5.94E-02 -0.46 -0.15
Glutamate receptor AMPA (GRIA) DTT NO-GeName 8.64E-01 -0.52 -0.47
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Substituted 1,2-dihydrophthalazines: potent, selective, and noncompetitive inhibitors of the AMPA receptor. J Med Chem. 1996 Jan 19;39(2):343-6.