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]
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
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.