Details of the Drug

General Information of Drug (ID: DM9GOTA)

Drug Name

4-(2-Phenylacetamido)-3-chlorobenzenesulfonamide

Synonyms

BRN 2157920; N-(4-(Aminosulfonyl)-2-chlorophenyl)benzeneacetamide; 3-Chloro-4-phenacetamido-benzenesulfonamide; Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-; 68252-75-5; AC1MHICQ; sulfonamide deriv., 7e; SCHEMBL8222515; CHEMBL583971; CTK5C7613; BDBM35737; DTXSID70218418; LS-28479; 3-Chloro-4-(phenylacetylamino)benzenesulfonamide

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)

324.8

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H13ClN2O3S
IUPAC Name: N-(2-chloro-4-sulfamoylphenyl)-2-phenylacetamide
Canonical SMILES: C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)Cl
InChI: InChI=1S/C14H13ClN2O3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H2,16,19,20)
InChIKey: PCTUCNXXOLZRTM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3051968
CAS Number: 68252-75-5
TTD ID: D0A3JR

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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

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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.