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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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: CHEBI:76255
CAS Number: 27035-30-9
DrugBank ID: DB13308
TTD ID: D0T9QW

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

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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.