Details of the Drug

General Information of Drug (ID: DMIVDFW)

Drug Name
3-hydroxy-2-phenylquinoline-4-carboxylic acid
Synonyms
Oxycinchophen; 485-89-2; Oxinofen; Chinoxone; Fenidrone; 3-hydroxy-2-phenylquinoline-4-carboxylic acid; Hydroxycinchophene; Sintofene; Magnofenyl; Reumartril; Magnophenyl; 3-Hydroxy-2-phenylcinchoninic acid; 3-Hydroxycinchophen; oxicinchophen; Oxicinchophenum; Oxycinchophen [INN:BAN]; Oxicincofeno [INN-Spanish]; UNII-UK6392GD5W; Oxycinchophene [INN-French]; Oxycinchophenum [INN-Latin]; 3-Hydroxy-2-phenyl-4-quinolinecarboxylic acid; 3-Hydroxy-2-phenyl-chinchoninsaeure; EINECS 207-624-4; NSC 41784; BRN 0224526; CHEMBL219376
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
ATC Code
: 3-hydroxy-2-phenylquinoline-4-carboxylic acid
M01BX: Other antiinflammatory/antirheumatic agents in combination with other drugs
M01B: ANTIINFLAMMATORY/ANTIRHEUMATIC AGENTS IN COMBINATION
M01: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M: MUSCULO-SKELETAL SYSTEM
M01CA03: 3-hydroxy-2-phenylquinoline-4-carboxylic acid
M01CA: Quinolines
M01C: SPECIFIC ANTIRHEUMATIC AGENTS
M01: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M: MUSCULO-SKELETAL SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 265.26
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H11NO3
IUPAC Name
3-hydroxy-2-phenylquinoline-4-carboxylic acid
Canonical SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O
InChI
InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
InChIKey
XAPRFLSJBSXESP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10239
ChEBI ID
CHEBI:135094
CAS Number
485-89-2
UNII
UK6392GD5W
DrugBank ID
DB13596
TTD ID
D00YPH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase) TT3PQ2Y PYRD_PLAF7 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and biological evaluation of quinoline salicylic acids as P-selectin antagonists. J Med Chem. 2007 Jan 11;50(1):21-39.