Details of the Drug

General Information of Drug (ID: DMDCQAX)

Drug Name

4-amino-3,5-dibromobenzenesulfonamide

Synonyms

4-amino-3,5-dibromobenzenesulfonamide; 39150-45-3; 3,5-Dibromosulfanilamide; 2,6-Dibromosulfanilamide; 3,5-Dibromosulphanilamide; CHEMBL306195; DLXJPWSYRLLYSV-UHFFFAOYSA-N; AK109126; 4-amino-3,5-dibromobenzene-1-sulfonamide; Benzenesulfonamide, 4-amino-3,5-dibromo-; W-202619; EINECS 254-321-8; 4-Amino-3,5-dibromobenzenesulphonamide; ACMC-209j3o; AC1Q50HX; AC1MJ34Y; halogenosulfanilamide deriv. 12; SCHEMBL11136228; BDBM11611; CTK4I0998; DTXSID20192395; MolPort-001-780-206; ZINC2146706; ALBB-026584; ZX-AN025095; KS-00000NE9; 5104AB

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)

330

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C6H6Br2N2O2S
IUPAC Name: 4-amino-3,5-dibromobenzenesulfonamide
Canonical SMILES: C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)N
InChI: InChI=1S/C6H6Br2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKey: DLXJPWSYRLLYSV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3084733
CAS Number: 39150-45-3
TTD ID: D0Q1EI

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36.