Details of the Drug

General Information of Drug (ID: DMWVLG1)

• Drug Name: Oxametacin
• Synonyms: Oxametacin; Oxamethacin; Flogar; Indoxamic acid; Oxametacine; Oxametacin [INN]; 27035-30-9; Oxametacine [INN-French]; Oxametacinum [INN-Latin]; UNII-8G02RSW5CM; Oxametacina [INN-Spanish]; Acido indoxamico [Italian]; ABC 8/3; EINECS 248-179-6; BRN 0497721; 8G02RSW5CM; CHEMBL295829; Oxametacin (INN); 1-(4-Chlorobenzoyl)-N-hydroxy-5-methoxy-2-methyl-1H-indole-3-acetamide; 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetohydroxamic acid; 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetohydroxamic acid; Acido 1-(p-clorobenzoi

Indication

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

• ATC Code:
  M01AB13: Oxametacin
  M01AB: Acetic acid derivatives and related substances
  M01A: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
  M01: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
  M: MUSCULO-SKELETAL SYSTEM
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 372.8
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H17ClN2O4
  IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-hydroxyacetamide
  Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NO
  InChI: InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)
  InChIKey: AJRNYCDWNITGHF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 33675
  ChEBI ID: CHEMBL295829
  CAS Number: 27035-30-9
  UNII: 8G02RSW5CM
  DrugBank ID: DB13308
  TTD ID: D0T9QW
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• 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
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin G/H synthase 2 (COX-2)	DTT	PTGS2	7.93E-04	-0.29	-0.34
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

References

• [1] Structure-based design, synthesis, and biological evaluation of indomethacin derivatives as cyclooxygenase-2 inhibiting nitric oxide donors. J Med Chem. 2007 Dec 13;50(25):6367-82.