Details of the Drug

General Information of Drug (ID: DMNC6W9)

Drug Name
3-[3-(4-hydroxyphenyl)isoxazol-5-yl]phenol
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) 253.25
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H11NO3
IUPAC Name
3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CC(=NO2)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-15(19-16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
InChIKey
ZYSCCHLCNRGGTO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135855877
ChEBI ID
CHEMBL505161
TTD ID
D02UUR
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1) TTIWB6L DHB1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis and biological evaluation of bis(hydroxyphenyl) azoles as potent and selective non-steroidal inhibitors of 17beta-hydroxysteroid ... Bioorg Med Chem. 2008 Jun 15;16(12):6423-35.