Details of the Drug

General Information of Drug (ID: DM9L50N)

• Drug Name: RPR-104632
• Synonyms: RPR-104632; RPR104632; 154106-92-0; Rpr 104632; Rpr 104,632; AC1L53RY; CHEMBL80741; SCHEMBL9280756; 2H-1,2,4-Benzothiadiazine-1-dioxide-3-carboxylate acid; CTK0H7515; BCP08875; CS-6717; RPR-110750; RPR-110754; HY-101600; 2-[(3-bromophenyl)methyl]-6,8-dichloro-1,1-dioxo-3,4-dihydro-1; 2H-1,2,4-Benzothiadiazine-3-carboxylicacid, 2-[(3-bromophenyl)methyl]-6,8-dichloro-3,4-dihydro-, 1,1-dioxide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 466.1
  Topological Polar Surface Area (xlogp); 4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C15H11BrCl2N2O4S
  IUPAC Name: 2-[(3-bromophenyl)methyl]-6,8-dichloro-1,1-dioxo-3,4-dihydro-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
  Canonical SMILES: C1=CC(=CC(=C1)Br)CN2C(NC3=C(S2(=O)=O)C(=CC(=C3)Cl)Cl)C(=O)O
  InChI: InChI=1S/C15H11BrCl2N2O4S/c16-9-3-1-2-8(4-9)7-20-14(15(21)22)19-12-6-10(17)5-11(18)13(12)25(20,23)24/h1-6,14,19H,7H2,(H,21,22)
  InChIKey: HNXXFIJGNAGRFN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 197644
  CAS Number: 154106-92-0
  TTD ID: D01PWK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	DTT	GRIN2B	7.51E-01	-0.06	-0.32
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	DTT	GRIN1	1.12E-01	-0.5	-1.8
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	DTT	GRIN2A	8.43E-01	-0.37	-0.45

References

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