Details of the Drug

General Information of Drug (ID: DM1DKSV)

Drug Name

4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID

Synonyms

4-acetamido-3-amino-5-hydroxybenzoic acid; 162252-46-2; 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID; 4-(Acetylamino)-3-amino-5-hydroxybenzoic acid; ST2; BANA106; AC1L9JL3; CHEMBL109005; BANA-106; SCHEMBL8375025; CTK8H1571; DTXSID70332224; ZINC3581100; 8225AA; AKOS016012208; DB08571; AJ-45035; 3-amino-4-acetamido-5-hydroxybenzoic acid; KB-239845; AX8247088; 4-acetamido-3-amino-5-hydroxy-benzoic acid; 3-Amino-4-(acetylamino)-5-hydroxybenzoic acid

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)

210.19

Topological Polar Surface Area (xlogp)

-0.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C9H10N2O4
IUPAC Name: 4-acetamido-3-amino-5-hydroxybenzoic acid
Canonical SMILES: CC(=O)NC1=C(C=C(C=C1O)C(=O)O)N
InChI: InChI=1S/C9H10N2O4/c1-4(12)11-8-6(10)2-5(9(14)15)3-7(8)13/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15)
InChIKey: CALDTVBHJMBRTM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 446366
CAS Number: 162252-46-2
DrugBank ID: DB08571
TTD ID: D08UEU

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.