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
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
carbonic anhydrase 12 Hs Inhibitor Inhibition 8.5 pKi - 2
pKi 8.5 (Ki 3.4x10-9 M) [2]
carbonic anhydrase 1 Hs Inhibitor Inhibition 7.5 pKi - 2
pKi 7.5 (Ki 3.1x10-8 M) [2]
carbonic anhydrase 7 Hs Inhibitor Inhibition 6.9 pKi - 2
pKi 6.9 (Ki 1.22x10-7 M) [2]