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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 466.1
Logarithm of the Partition Coefficient (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 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 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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Indeno[1,2-b]pyrazin-2,3-diones: a new class of antagonists at the glycine site of the NMDA receptor with potent in vivo activity. J Med Chem. 2000 Jun 15;43(12):2371-81.