Details of the Drug

General Information of Drug (ID: DM9UTDE)

Drug Name

Morniflumate

Synonyms

morniflumate; 65847-85-0; UNII-R133MWH7X1; 2-Morpholinoethyl 2-((3-(trifluoromethyl)phenyl)amino)nicotinate; R133MWH7X1; Morniflumatum; Morniflumato; 2-morpholin-4-ylethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate; Morniflumate [USAN:INN]; Morniflumatum [INN-Latin]; Morniflumato [INN-Spanish]; Nifluminsaeure 2-morpholinoethylester; UP 164; Morniflumate (USAN); Niflumic acid beta-morpholinoethyl ester; AC1Q4JLB; AC1L2HFJ; DSSTox_RID_97471; DSSTox_CID_31587; DSSTox_GSID_57798; SCHEMBL50683; CHEMBL2105059; DTXSID6057798

Indication

Disease Entry	ICD 11	Status	REF
Otitis media	AA80-AB0Z	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

395.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Clearance: The clearance of drug is 45 mL/min [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 2 hours [2]
Metabolism: The drug is metabolized via rapid hydrolysis in the plasma [2]

Chemical Identifiers

Formula: C19H20F3N3O3
IUPAC Name: 2-morpholin-4-ylethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
Canonical SMILES: C1COCCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)
InChIKey: LDXSPUSKBDTEKA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 72106
ChEBI ID: CHEBI:136018
CAS Number: 65847-85-0
DrugBank ID: DB09285
TTD ID: D00BDC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase (COX)	TTK0943	PGH1_HUMAN ; PGH2_HUMAN	Modulator	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Chloride anion exchanger (SLC26A3)	OTBNK2U2	S26A3_HUMAN	Gene/Protein Processing	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	The pharmacokinetics and availability of niflumic acid in humans
3	Modulation of arachidonic acid metabolism by orally administered morniflumate in man. Agents Actions. 1991 Jul;33(3-4):233-9.
4	Acute regulation of the SLC26A3 congenital chloride diarrhoea anion exchanger (DRA) expressed in Xenopus oocytes. J Physiol. 2003 May 15;549(Pt 1):3-19. doi: 10.1113/jphysiol.2003.039818. Epub 2003 Mar 21.