Details of the Drug

General Information of Drug (ID: DMDVAI5)

Drug Name

Florifenine

Synonyms

Florifenine; 83863-79-0; UNII-S7UT8VQG94; S7UT8VQG94; C23H22F3N3O2; Florifenine [INN]; SCHEMBL379372; AC1L50B0; CHEMBL2104893; ZINC537734; API0011459; FI-2522; M454; FT-0668560; 2-pyrrolidin-1-ylethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate; 2-(1-Pyrrolidinyl)ethyl N-(7-(trifluoromethyl)-4-quinolyl)anthranilate.; 2-(1-Pyrrolidinyl)ethyl N-(7-(trifluoromethyl)-4-quinolyl)anthranilate; 2-[[7-(Trifluoromethyl)-4-quinolinyl]amino]benzoic Acid 2-(1-Pyrrolidinyl)ethyl Ester

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

429.4

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C23H22F3N3O2
IUPAC Name: 2-pyrrolidin-1-ylethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate
Canonical SMILES: C1CCN(C1)CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F
InChI: InChI=1S/C23H22F3N3O2/c24-23(25,26)16-7-8-17-20(9-10-27-21(17)15-16)28-19-6-2-1-5-18(19)22(30)31-14-13-29-11-3-4-12-29/h1-2,5-10,15H,3-4,11-14H2,(H,27,28)
InChIKey: DQOYUDHAZMAVLD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 216222
CAS Number: 83863-79-0
TTD ID: D0Y7BV

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	[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 800003826)
2	A study of the novel anti-inflammatory agent florifenine topical anti-inflammatory activity and influence on arachidonic acid metabolism and neutrophil functions. Naunyn Schmiedebergs Arch Pharmacol.1995 Mar;351(3):298-304.