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]

• Drug Type: Small molecular drug
• #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]

References

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