General Information of Drug (ID: DM7WGXS)

Drug Name
FR-76830
Synonyms
113243-75-7; FR 76830; 3-Pyridinecarboxamide,2-methyl-N-[2-(4-morpholinyl)ethyl]-4-(3-nitrophenyl)-6-phenyl-; FR-76830; HNBRMVZTOLAZRW-UHFFFAOYSA-N; ACMC-20mhoq; AC1MIZ8R; SCHEMBL9601411; fr76830; CTK4A8167; DTXSID70150329; 2-Methyl-N-(2-(4-morpholinyl)ethyl)-4-(3-nitrophenyl)-6-phenylnicotinamide; AKOS030543198; 2-Methyl-N-(4-morpholinylethyl)-4-(3-nitrophenyl)-6-phenyl-3-pyridinecarboxamide; 3-(2-morpholinoethylcarbamoyl)-2-methyl-4-(3-nitrophenyl)-6-phenylpyridine
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 446.5
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C25H26N4O4
IUPAC Name
2-methyl-N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxamide
Canonical SMILES
CC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCCN4CCOCC4
InChI
InChI=1S/C25H26N4O4/c1-18-24(25(30)26-10-11-28-12-14-33-15-13-28)22(20-8-5-9-21(16-20)29(31)32)17-23(27-18)19-6-3-2-4-7-19/h2-9,16-17H,10-15H2,1H3,(H,26,30)
InChIKey
HNBRMVZTOLAZRW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3082657
CAS Number
113243-75-7
TTD ID
D0IX7G

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
ATP phosphatase (ATPase) TT5WKM8 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002286)
2 On the mode of cardioprotection produced by a new bradycardic agent, FR 76830, during ischaemia and after reperfusion in the isolated perfused rat heart: a 31P-NMR study. Cardiovasc Res. 1990 Dec;24(12):1008-12.