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.
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2D Structure
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Physico-chemical Properties
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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
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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)
Selectivity at enzymes
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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]