SR1001

Ligand id: 10143

Name: SR1001

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 145.01
Molecular weight 477.03
XLogP 2.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kumar N, Solt LA, Conkright JJ, Wang Y, Istrate MA, Busby SA, Garcia-Ordonez RD, Burris TP, Griffin PR. (2010)
The benzenesulfoamide T0901317 [N-(2,2,2-trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-benzenesulfonamide] is a novel retinoic acid receptor-related orphan receptor-alpha/gamma inverse agonist.
Mol. Pharmacol., 77 (2): 228-36. [PMID:19887649]
2. Solt LA, Kumar N, Nuhant P, Wang Y, Lauer JL, Liu J, Istrate MA, Kamenecka TM, Roush WR, Vidović D et al.. (2011)
Suppression of TH17 differentiation and autoimmunity by a synthetic ROR ligand.
Nature, 472 (7344): 491-4. [PMID:21499262]