Details of the Drug

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)

MIA Detail

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.