Ligand id: 2438

Name: BTP2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 100.94
Molecular weight 421.04
XLogP 5.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. He LP, Hewavitharana T, Soboloff J, Spassova MA, Gill DL. (2005)
A functional link between store-operated and TRPC channels revealed by the 3,5-bis(trifluoromethyl)pyrazole derivative, BTP2.
J. Biol. Chem., 280 (12): 10997-1006. [PMID:15647288]
2. Liu S, Hasegawa H, Takemasa E, Suzuki Y, Oka K, Kiyoi T, Takeda H, Ogasawara T, Sawasaki T, Yasukawa M et al.. (2017)
Efficiency and Safety of CRAC Inhibitors in Human Rheumatoid Arthritis Xenograft Models.
J. Immunol., 199 (5): 1584-1595. [PMID:28716825]
3. Takezawa R, Cheng H, Beck A, Ishikawa J, Launay P, Kubota H, Kinet JP, Fleig A, Yamada T, Penner R. (2006)
A pyrazole derivative potently inhibits lymphocyte Ca2+ influx and cytokine production by facilitating transient receptor potential melastatin 4 channel activity.
Mol. Pharmacol., 69 (4): 1413-20. [PMID:16407466]
4. Tian C, Du L, Zhou Y, Li M. (2016)
Store-operated CRAC channel inhibitors: opportunities and challenges.
Future Med Chem, 8 (7): 817-32. [PMID:27149324]