indisulam   Click here for help

GtoPdb Ligand ID: 7046

Synonyms: E7070
PDB Ligand
Compound class: Synthetic organic
Comment: Indisulam is an anticancer sulfonamide that is in clinical development. This compound belongs to the family of carbonic anhydrase inhibitors. It also behaves as a type of molecular glue that targets certain proteins for ubiquitination and proteasomal degradation [1,3], by bringing them into the proximity the CUL4-DDB1-DDA1-DCAF15 E3 ubiquitin ligase complex.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 138.88
Molecular weight 385
XLogP 1.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N
Isomeric SMILES Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N
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)
InChI Key SETFNECMODOHTO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups PROTACs, molecular glues and other degraders
IUPAC Name Click here for help
N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
International Nonproprietary Names Click here for help
INN number INN
8199 indisulam
Synonyms Click here for help
E7070
Database Links Click here for help
CAS Registry No. 165668-41-7
ChEMBL Ligand CHEMBL77517
GtoPdb PubChem SID 178103625
PubChem CID 216468
RCSB PDB Ligand EF6
Search Google for chemical match using the InChIKey SETFNECMODOHTO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SETFNECMODOHTO
Search PubMed clinical trials indisulam
Search PubMed titles indisulam
Search PubMed titles/abstracts indisulam
UniChem Compound Search for chemical match using the InChIKey SETFNECMODOHTO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SETFNECMODOHTO-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
Indisulam (links to external site)
Cat. No. 6782