Details of the Drug

General Information of Drug (ID: DM8F0N5)

Drug Name

4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID

Synonyms

4-acetamido-3-hydroxy-5-nitrobenzoic acid; 162252-45-1; 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid; ST1; BANA105; AC1MO7GF; SCHEMBL5571782; CHEMBL324455; BANA-105; CTK8C2119; DTXSID30391837; JIDRTCHFBHJIDG-UHFFFAOYSA-N; ZINC3833968; 8224AA; ANW-67849; AKOS016007095; DB08570; AJ-45807; TC-156594; AX8236797; KB-107355; 4-acetamido-3-hydroxy-5-nitro-benzoic acid; Benzoic acid,4-(acetylamino)-3-hydroxy-5-nitro-

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)

240.17

Topological Polar Surface Area (xlogp)

0.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C9H8N2O6
IUPAC Name: 4-acetamido-3-hydroxy-5-nitrobenzoic acid
Canonical SMILES: CC(=O)NC1=C(C=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C9H8N2O6/c1-4(12)10-8-6(11(16)17)2-5(9(14)15)3-7(8)13/h2-3,13H,1H3,(H,10,12)(H,14,15)
InChIKey: JIDRTCHFBHJIDG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3364665
CAS Number: 162252-45-1
DrugBank ID: DB08570
TTD ID: D0Q8HV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza Neuraminidase (Influ NA)	TT50QJ3	NRAM_I33A0	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	Current and future antiviral therapy of severe seasonal and avian influenza. Antiviral Res. 2008 Apr;78(1):91-102.
3	Developing new antiviral agents for influenza treatment: what does the future hold Clin Infect Dis. 2009 Jan 1;48 Suppl 1:S3-13.
4	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
5	Inhibition of neuraminidase inhibitor-resistant influenza virus by DAS181, a novel sialidase fusion protein. PLoS One. 2009 Nov 6;4(11):e7838.
6	US patent application no. 2010,0081,713, Compositions and methods for treating viral infections.
7	CN patent application no. 104447481, Benzoic acid thiourea anti-influenza virus compounds as well as preparation method and use thereof.