Details of the Drug

General Information of Drug (ID: DMA9TCD)

Drug Name
4-(4-(4-Nitrophenyl)thiazol-2-ylamino)phenol
Synonyms 4-{[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino}phenol; CHEMBL559270; BDBM91658; ZINC36627530; STL255714; AKOS002279368; MCULE-8884798678; N-aryl-4-aryl-1,3-thiazole-2-amine, 6
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) 313.3
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H11N3O3S
IUPAC Name
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol
Canonical SMILES
C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O3S/c19-13-7-3-11(4-8-13)16-15-17-14(9-22-15)10-1-5-12(6-2-10)18(20)21/h1-9,19H,(H,16,17)
InChIKey
PXYPXTOUOYAWOU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16645659
TTD ID
D0J3EJ
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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 [1]
Molecular Interaction Atlas (MIA) 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.