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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

240.17

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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]

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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.