Details of the Drug

General Information of Drug (ID: DM47IFL)

Drug Name

4-nitrophenylsulfamide

Synonyms

4-nitrophenylsulfamide; N-(4-Nitrophenyl)sulfamide; CHEMBL168778; 70466-80-7; AC1LD5GZ; N-(4-Nitrophenyl)sulfamide #; Sulphamide, N-(4-nitrophenyl)-; RAXPQAODVUNKFW-UHFFFAOYSA-N; 1-nitro-4-(sulfamoylamino)benzene; BDBM50124157

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)

217.21

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C6H7N3O4S
IUPAC Name: 1-nitro-4-(sulfamoylamino)benzene
Canonical SMILES: C1=CC(=CC=C1NS(=O)(=O)N)[N+](=O)[O-]
InChI: InChI=1S/C6H7N3O4S/c7-14(12,13)8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,(H2,7,12,13)
InChIKey: RAXPQAODVUNKFW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 612414
TTD ID: D0I8DW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Inhibition of carbonic anhydrase-II by sulfamate and sulfamide groups: an investigation involving direct thermodynamic binding measurements. J Med Chem. 2006 Jun 15;49(12):3496-500.