Details of the Drug

General Information of Drug (ID: DM1V0MD)

Drug Name
RPR-120844
Synonyms RPR-120844; RPR120844; sulfonamidopyrrolidinone; CHEMBL84638; CHEMBL331943; BDBM13279; 4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide
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) 472.6
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H24N4O4S2
IUPAC Name
4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
Canonical SMILES
CN([C@H]1CCN(C1=O)CC2=CSC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(C=CC(=C4)OC)C=C3
InChI
InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
InChIKey
YQYYTNCSSDRJHZ-IBGZPJMESA-N
Cross-matching ID
PubChem CID
10322586
ChEBI ID
CHEMBL331943
TTD ID
D00KJP
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vitamin K-dependent protein C (PROC) TTZUXYS PROC_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design and structure-activity relationships of potent and selective inhibitors of blood coagulation factor Xa. J Med Chem. 1999 Sep 9;42(18):3557-71.