Details of the Drug

General Information of Drug (ID: DMC5O3X)

Drug Name

FRG-8701

Synonyms

FRG8701; 108498-50-6; Acetamide,2-[(2-furanylmethyl)sulfinyl]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-; Frg 8701; Frg-8701; ACMC-20mbjv; AC1L2WUW; SCHEMBL5083014; CTK4A6065; IWLUMUDDKHJJPB-UHFFFAOYSA-N; HY-U00238; AKOS030565773; N-(3-(3-(Piperidinylmethyl)phenoxy)propyl)-2-(furfurylsulfinyl)acetamide; CS-7405; L002080; N-{3-[3-(piperidinomethyl)phenoxy] propyl]-2-(furfurylsulfinyl) acetamide; Acetamide, 2-((2-furanylmethyl)sulfinyl)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-

Indication

Disease Entry	ICD 11	Status	REF
Stomach ulcer	DA60.Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

418.6

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C22H30N2O4S
IUPAC Name: 2-(furan-2-ylmethylsulfinyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Canonical SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CS(=O)CC3=CC=CO3
InChI: InChI=1S/C22H30N2O4S/c25-22(18-29(26)17-21-9-5-13-28-21)23-10-6-14-27-20-8-4-7-19(15-20)16-24-11-2-1-3-12-24/h4-5,7-9,13,15H,1-3,6,10-12,14,16-18H2,(H,23,25)
InChIKey: IWLUMUDDKHJJPB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 130145
CAS Number: 108498-50-6
TTD ID: D0J0JC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H2 receptor (H2R)	TTQHJ1K	HRH2_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Effects of FRG-8701 on gastric acid secretion, gastric mucosal lesions by necrotizing agents and experimental gastric or duodenal ulcer in rats. Jpn J Pharmacol. 1990 Nov;54(3):277-85.