Details of the Drug

General Information of Drug (ID: DMLRBN1)

Drug Name
L-698544
Synonyms
7-Chloro-3-nitro-3,4-dihydroquinolin-2(1H)-one; 147778-05-0; 7-chloro-3-nitro-3,4-dihydro-1H-quinolin-2-one; 7-CHLORO-3-NITRO-3,4-DIHYDROQUINOLIN-2(1H)-ONE; CHEMBL102574; 2(1H)-Quinolinone,7-chloro-3,4-dihydro-3-nitro-; ACMC-1C9KO; SCHEMBL8271408; CTK4C5567; DTXSID50436916; BDBM50038176; 3697AJ; AKOS024260378; AB06846; AK153524; DB-063735; AX8026622; FT-0703007; Z-7553; CNDQ; 7-Chloro-3-nitro-3,4-dihydro-1H-quinolin-2-one
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 226.61
Topological Polar Surface Area (xlogp) 1.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H7ClN2O3
IUPAC Name
7-chloro-3-nitro-3,4-dihydro-1H-quinolin-2-one
Canonical SMILES
C1C(C(=O)NC2=C1C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H7ClN2O3/c10-6-2-1-5-3-8(12(14)15)9(13)11-7(5)4-6/h1-2,4,8H,3H2,(H,11,13)
InChIKey
JXGOSNKBNBJAGV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10220180
CAS Number
147778-05-0
TTD ID
D0AZ5V

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Antagonist [2]
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [3]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Inhibitor [3]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [3]
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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