General Information of Drug (ID: DMXANES)

Drug Name
N-Phenylbenzo[d]oxazol-2-amine
Synonyms
N-phenyl-1,3-benzoxazol-2-amine; 2-benzoxazolamine, n-phenyl-; MLS000564967; CHEMBL1269508; SMR000152172; N-Phenylbenzo[d]oxazol-2-amine; NSC53097; 2-anilinobenzoxazole; Enamine_001986; AC1L6BGG; AC1Q4WEW; 2-(Phenylamino)benzoxazole; Oprea1_506735; Oprea1_258700; cid_243391; SCHEMBL2658434; BDBM49481; BFLIOKCEGCUTNH-UHFFFAOYSA-N; HMS2433J13; HMS1399K06; 1,3-benzoxazol-2-yl(phenyl)amine; ZINC1684315; NSC-53097; BENZOOXAZOL-2-YL-PHENYL-AMINE; AKOS003001295; SC-56852; KB-302380; N-phenyl-2,3-dihydro-1,3-benzoxazol-2-imine
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) 210.23
Topological Polar Surface Area (xlogp) 3.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H10N2O
IUPAC Name
N-phenyl-1,3-benzoxazol-2-amine
Canonical SMILES
C1=CC=C(C=C1)NC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C13H10N2O/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-9H,(H,14,15)
InChIKey
BFLIOKCEGCUTNH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
243391
CAS Number
6631-42-1
TTD ID
D00JPV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) 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
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors. Bioorg Med Chem. 2010 Nov 1;18(21):7580-5.
2 5-lipoxygenase inhibitor zileuton attenuates ischemic brain damage: involvement of matrix metalloproteinase 9. Neurol Res. 2009 Oct;31(8):848-52.
3 Inhibition of leukotriene formation by diethylcarbamazine modifies the acid-base balance in the rabbits with blast injuries of the lungs. Vojnosanit Pregl. 1999 May-Jun;56(3):243-7.
4 Anti-inflammatory and anti-arthritic activities of silymarin acting through inhibition of 5-lipoxygenase. Phytomedicine. 2000 Mar;7(1):21-4.
5 Phenidone protects the nigral dopaminergic neurons from LPS-induced neurotoxicity. Neurosci Lett. 2008 Nov 7;445(1):1-6.
6 Simple analogues of anthralin: unusual specificity of structure and antiproliferative activity. J Med Chem. 1997 Nov 7;40(23):3773-80.
7 Treatment with 5-lipoxygenase inhibitor VIA-2291 (Atreleuton) in patients with recent acute coronary syndrome. Circ Cardiovasc Imaging. 2010 May;3(3):298-307.
8 The in vitro free radical scavenging activity of tenidap, a new dual cyclo-oxygenase and 5-1ipoxygenase inhibitor. Mediators Inflamm. 1992;1(2):141-3.
9 FPL 62064, a topically active 5-lipoxygenase/cyclooxygenase inhibitor. Agents Actions. 1990 Jun;30(3-4):432-42.
10 Pharmacological profile of the novel potent antirheumatic 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid. Arzneimittelforschung. 1997 May;47(5):648-52.
11 Novel dual cyclooxygenase and lipoxygenase inhibitors targeting hyaluronan-CD44v6 pathway and inducing cytotoxicity in colon cancer cells. Bioorg Med Chem. 2013 May 1;21(9):2551-9.