Details of the Drug

General Information of Drug (ID: DMTPFLU)

Drug Name

Quinoline-8-sulfonamide

Synonyms

quinoline-8-sulfonamide; 8-Quinolinesulfonamide; 35203-91-9; 8-Sulfonamidoquinoline; Quinoline-8-sulfonic acid amide; CCRIS 7819; CHEMBL268809; SMR000009729; 8-quinoline-sulfonamide; 8-(Sulfamoyl)quinoline; AC1Q6ULO; AC1L3S9X; SCHEMBL50688; Oprea1_399346; Oprea1_819599; MLS001075858; MLS000070229; MLS001075623; CTK1C3889; DTXSID30188709; MolPort-000-398-364; ZTYZEUXZHGOXRT-UHFFFAOYSA-N; ZINC275697; HMS2220E20; HMS3356M20; ALBB-006579; NSC67458; STK387517; NSC-67458; 1294AE; BDBM50125190; AKOS000678636; MCULE-8159242011; BAS 00926056

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)

208.24

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H8N2O2S
IUPAC Name: quinoline-8-sulfonamide
Canonical SMILES: C1=CC2=C(C(=C1)S(=O)(=O)N)N=CC=C2
InChI: InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13)
InChIKey: ZTYZEUXZHGOXRT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 94464
CAS Number: 35203-91-9
TTD ID: D0F7SO

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]
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_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 II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33
Carbonic anhydrase IX (CA-IX)	DTT	CA9	1.12E-10	-0.03	-0.09

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors. Bioorg Med Chem. 2009 Jan 15;17(2):553-7.