Details of the Drug

General Information of Drug (ID: DMR37FN)

Drug Name

4-(Acetylamino)-3-Amino Benzoic Acid

Synonyms

4-(Acetylamino)-3-Amino Benzoic Acid; 3-amino-4-acetamidobenzoic acid; CHEMBL109162; 4-acetylamino-3-aminobenzoic acid; 4-(Acetylamino)-3-aminobenzoic acid; 53484-10-9; ST3; BANA108; AC1L9JL6; BANA-108; SCHEMBL2344997; BANA 108; BDBM5274; 4-acetamido-3-aminobenzoic acid; 4-acetamido-3-amino-benzoic acid; 4-Acetylamino-3-amino-benzoic acid; AKOS012418429

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)

194.19

Topological Polar Surface Area (xlogp)

-0.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H10N2O3
IUPAC Name: 4-acetamido-3-aminobenzoic acid
Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)C(=O)O)N
InChI: InChI=1S/C9H10N2O3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
InChIKey: MJMLUICFHWSBQZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 446367
DrugBank ID: DB02268
TTD ID: D0F8CH

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
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	Inhibition of neuraminidase inhibitor-resistant influenza virus by DAS181, a novel sialidase fusion protein. PLoS One. 2009 Nov 6;4(11):e7838.
5	US patent application no. 2010,0081,713, Compositions and methods for treating viral infections.
6	CN patent application no. 104447481, Benzoic acid thiourea anti-influenza virus compounds as well as preparation method and use thereof.