Ligand id: 4177

Name: DIDS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 214.4
Molecular weight 453.94
XLogP 4.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Baldwin AG, Brough D, Freeman S. (2016)
Inhibiting the Inflammasome: A Chemical Perspective.
J. Med. Chem., 59 (5): 1691-710. [PMID:26422006]
2. Becq F, Hamon Y, Bajetto A, Gola M, Verrier B, Chimini G. (1997)
ABC1, an ATP binding cassette transporter required for phagocytosis of apoptotic cells, generates a regulated anion flux after expression in Xenopus laevis oocytes.
J. Biol. Chem., 272 (5): 2695-9. [PMID:9006906]
3. Hamon Y, Luciani MF, Becq F, Verrier B, Rubartelli A, Chimini G. (1997)
Interleukin-1beta secretion is impaired by inhibitors of the Atp binding cassette transporter, ABC1.
Blood, 90 (8): 2911-5. [PMID:9376570]
4. Schulz P, Werner J, Stauber T, Henriksen K, Fendler K. (2010)
The G215R mutation in the Cl-/H+-antiporter ClC-7 found in ADO II osteopetrosis does not abolish function but causes a severe trafficking defect.
PLoS ONE, 5 (9): e12585. [PMID:20830208]