General Information of Drug (ID: DMH5CAQ)

Drug Name
4-(2-amino-1,3-thiazol-4-yl)phenol
Synonyms
4-(2-Amino-1,3-thiazol-4-yl)phenol; 57634-55-6; 4-(2-amino-4-thiazolyl)phenol; 4-(2-Amino-thiazol-4-yl)-phenol; 4-(2-aminothiazol-4-yl)phenol; CHEMBL483790; QGSJYYIRAFRPIT-UHFFFAOYSA-N; Phenol, 4-(2-amino-4-thiazolyl)-; 2-amino-4-(4-hydroxyphenyl)-thiazole; NSC405294; 3fu3; Oprea1_415030; SCHEMBL5321407; p-(2-Amino-4-thiazolyl)phenol; CTK5A7198; DTXSID30323956; MolPort-000-141-769; HMS3604B06; Phenol,4-(2-amino-4-thiazolyl)-; AC1L8637; KS-00000A4L; ZINC16951624; STK723345; SBB018017; BDBM50293592; KM0129; 5926AE; 4-(2-Aminothiazol-4-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) 192.24
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H8N2OS
IUPAC Name
4-(2-amino-1,3-thiazol-4-yl)phenol
Canonical SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)O
InChI
InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)
InChIKey
QGSJYYIRAFRPIT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
346926
CAS Number
57634-55-6
DrugBank ID
DB07292
TTD ID
D01KOI

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 [2]
Leukotriene A-4 hydrolase (LTA4H) TTXZEAJ LKHA4_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
Leukotriene A-4 hydrolase (LTA4H) DTT LTA4H 1.31E-48 -1.22 -2.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2 A library of novel allosteric inhibitors against fructose 1,6-bisphosphatase. Bioorg Med Chem. 2009 Jun 1;17(11):3916-22.