Details of the Drug

General Information of Drug (ID: DM9SX6Y)

Drug Name

Indisulam

Synonyms

Indisulam; 165668-41-7; E7070; N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide; UNII-WJ98J3NM90; E-7070; E 7070; N-(3-Chloro-1H-indol-7-yl)-1,4-benzenedisulfonamide; CHEMBL77517; WJ98J3NM90; N1-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide; 1,4-Benzenedisulfonamide, N-(3-chloro-1H-indol-7-yl)-; ER-35744; N-(3-Chloro-1H-indol-7-yl)benzene-1,4disulfonamide; Indisulam (IND); indisulam (e7070); Indisulam (USAN/INN); AC1Q6VCX; AC1L50QL; SCHEMBL91389; N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide; Indisulam [USAN:INN:BAN]

Indication

Disease Entry	ICD 11	Status	REF
Lymphoma	2A80-2A86	Phase 2	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

385.8

Topological Polar Surface Area (xlogp)

1.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C14H12ClN3O4S2
IUPAC Name: 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
Canonical SMILES: C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl
InChI: InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChIKey: SETFNECMODOHTO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 216468
ChEBI ID: CHEBI:145431
CAS Number: 165668-41-7
DrugBank ID: DB06370
TTD ID: D04IIU
INTEDE ID: DR0873

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_HUMAN	Modulator	[3], [4]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[5]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[6]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Lymphoma

ICD Disease Classification

2A80-2A86

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase IX (CA-IX)	DTT	CA9	6.08E-15	2.8	7.25
Mephenytoin 4-hydroxylase (CYP2C19)	DME	CYP2C19	1.02E-01	-2.84E-01	-7.34E-01
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	1.62E-02	-4.23E-01	-1.25E+00

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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2	ClinicalTrials.gov (NCT00014625) E7070 in Treating Patients With Stage IV Melanoma. U.S. National Institutes of Health.
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21	Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33.
22	Possible involvement of multiple human cytochrome P450 isoforms in the liver metabolism of propofol. Br J Anaesth. 1998 Jun;80(6):788-95.
23	Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
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26	Potential role of (124)I-girentuximab in the presurgical diagnosis of clear-cell renal cell cancer. Biologics. 2012;6:395-407.
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