Details of the Drug

General Information of Drug (ID: DMFYR6H)

Drug Name

4-(2-Phenylacetamido)benzenesulfonamide

Synonyms

2-phenyl-N-(4-sulfamoylphenyl)acetamide; N-[4-(aminosulfonyl)phenyl]-2-phenylacetamide; 331274-56-7; 3oys; 4-(2-Phenylacetamido)benzenesulfonamide; sulfonamide deriv., 7a; AC1LE45L; Oprea1_842052; CHEMBL574782; ARONIS000876; SCHEMBL13276539; KS-00003UGZ; BDBM35733; MolPort-001-503-086; ZINC142256; STK097687; AKOS000490206; MCULE-4432635286; ST039768; AN-329/10027012; F3145-0673

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)

290.34

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H14N2O3S
IUPAC Name: 2-phenyl-N-(4-sulfamoylphenyl)acetamide
Canonical SMILES: C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI: InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
InChIKey: JWDLYKTZCRIGNW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 729977
TTD ID: D0O0UE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
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 I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
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	Carbonic anhydrase inhibitors. Aromatic/heterocyclic sulfonamides incorporating phenacetyl, pyridylacetyl and thienylacetyl tails act as potent inh... Bioorg Med Chem. 2009 Jul 15;17(14):4894-9.