Details of the Drug

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
ChEBI ID
CHEMBL483790
CAS Number
57634-55-6
UNII
MLP0GI2196
DrugBank ID
DB07292
TTD ID
D01KOI
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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]
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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.