Details of the Drug

General Information of Drug (ID: DMVQLFB)

Drug Name
5-Chloro-N-phenylbenzo[d]oxazol-2-amine
Synonyms
CHEMBL1269620; 79558-94-4; 2-Benzoxazolamine, 5-chloro-N-phenyl-; 5-Chloro-N-phenylbenzo[d]oxazol-2-amine; AC1NKL9S; 5-chloro-N-phenyl-1,3-benzoxazol-2-amine; SCHEMBL3474865; CTK2G4049; DTXSID50406795; BDBM50329393; ZINC33559155; N-Phenyl-5-chlorobenzoxazole-2-amine; VU0404023-1; J3.559.656I
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) 244.67
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H9ClN2O
IUPAC Name
5-chloro-N-phenyl-1,3-benzoxazol-2-amine
Canonical SMILES
C1=CC=C(C=C1)NC2=NC3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C13H9ClN2O/c14-9-6-7-12-11(8-9)16-13(17-12)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKey
YWNAVPSABPGECL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4915226
CAS Number
79558-94-4
TTD ID
D08HFK

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.