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]
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
CHEMBL520819
TTD ID
D0TV1R
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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).