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]
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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

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.