Details of the Drug

General Information of Drug (ID: DM8EH07)

Drug Name

3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol

Synonyms

CHEMBL552961; 3-{[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino}phenol; 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol; AC1MOQ7Z; 3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol; BDBM50293580; STK163120; AKOS005408679; MCULE-5910300038; NCGC00285022-01

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)

284.3

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H12N2O2S
IUPAC Name: 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]phenol
Canonical SMILES: C1=CC(=CC(=C1)O)NC2=NC(=CS2)C3=CC=C(C=C3)O
InChI: InChI=1S/C15H12N2O2S/c18-12-6-4-10(5-7-12)14-9-20-15(17-14)16-11-2-1-3-13(19)8-11/h1-9,18-19H,(H,16,17)
InChIKey: SAFZMMTWTRFRQE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3324368
TTD ID: D0L8EN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fructose-1,6-bisphosphatase (FBP)	TTWHDVK	F16P1_HUMAN ; F16P2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A library of novel allosteric inhibitors against fructose 1,6-bisphosphatase. Bioorg Med Chem. 2009 Jun 1;17(11):3916-22.