Details of the Drug

General Information of Drug (ID: DMN8AP0)

Drug Name

flufenamate

Synonyms

Flufenamate; 2-[3-(trifluoromethyl)anilino]benzoate; 2-{[3-(trifluoromethyl)phenyl]amino}benzoate; 2-[[3-(trifluoromethyl)phenyl]amino]benzoate; 2pix; AC1MU9L1; GTPL4191; BDBM85514; CHEBI:520819; NSC_27881; ZB003097; CAS_530-78-9; CJ-00698; 2-(3-(trifluoromethyl)phenylamino)benzoate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

280.22

Logarithm of the Partition Coefficient (xlogp)

5.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C14H9F3NO2-
IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoate
Canonical SMILES: C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F
InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)/p-1
InChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 3637398
ChEBI ID: CHEBI:520819
TTD ID: D0TV1R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polycystic kidney disease 2-like 1 (TRPP2)	TTAHD89	PK2L1_HUMAN	Blocker (channel blocker)	[2]
Short transient receptor potential channel 6 (TRPC6)	TTRBT3W	TRPC6_HUMAN	Activator	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4191).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 505).
3	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 491).