Details of the Drug

General Information of Drug (ID: DMIM5WE)

Drug Name

3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol

Synonyms

CHEMBL529446; 3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol; SCHEMBL1180107; BDBM50271078

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)

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-[4-(4-hydroxyphenyl)-1,3-oxazol-2-yl]phenol
Canonical SMILES: C1=CC(=CC(=C1)O)C2=NC(=CO2)C3=CC=C(C=C3)O
InChI: InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-19-15(16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
InChIKey: NOWYSMIMXQPTPC-UHFFFAOYSA-N

Cross-matching ID

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]

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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.