General Information of the Compound
Compound ID
CP0039979
Compound Name
1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
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Synonyms
1,4-Benzenedisulfonamide, N-(3-chloro-1H-indol-7-yl)-
165668-41-7
AC1L50QL
AC1Q6VCX
CHEMBL77517
E 7070
E-7070
E7070
ER-35744
INDISULAM
Indisulam
Indisulam (IND)
Indisulam (USAN/INN)
Indisulam [USAN:INN:BAN]
N-(3-Chloro-1H-indol-7-yl)-1,4-benzenedisulfonamide
N-(3-Chloro-1H-indol-7-yl)benzene-1,4disulfonamide
N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide
N1-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
SCHEMBL91389
UNII-WJ98J3NM90
WJ98J3NM90
indisulam (e7070)
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Structure
Formula
C14H12ClN3O4S2
Molecular Weight
385.854
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
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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)
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InChIKey
SETFNECMODOHTO-UHFFFAOYSA-N
CAS
165668-41-7
Physicochemical Property
logP
2.2695
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
122.12
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 216468
SID: 12015040
ChEMBL ID
CHEMBL77517
DrugBank ID
DB06370
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00209, Carbonic anhydrase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 163 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 163 nM
Clinical Information about the Compound
Drug 1 ( INDISULAM )
Drug Name INDISULAM
Indication
Lymphoma
Phase 2
Target(s)
Carbonic anhydrase IX (CA-IX)
Modulator