CZ415   Click here for help

GtoPdb Ligand ID: 9837

Synonyms: compound 3 [PMID: 27563401] | CZ-415
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: CZ415 is a potent and selective, ATP-competitive mTOR inhibitor that has potential anti-inflammatory activity [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 87.76
Molecular weight 455.24
XLogP 3.52
No. Lipinski's rules broken 0
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Canonical SMILES CCNC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2C)c2c(n1)C(C)(C)S(=C)(=C)C2
Isomeric SMILES CCNC(=O)Nc1ccc(cc1)c1nc(N2CCOC[C@@H]2C)c2c(n1)C(C)(C)S(=C)(=C)C2
InChI InChI=1S/C24H33N5O2S/c1-7-25-23(30)26-18-10-8-17(9-11-18)21-27-20-19(15-32(5,6)24(20,3)4)22(28-21)29-12-13-31-14-16(29)2/h8-11,16H,5-7,12-15H2,1-4H3,(H2,25,26,30)/t16-/m0/s1
1. Cansfield AD, Ladduwahetty T, Sunose M, Ellard K, Lynch R, Newton AL, Lewis A, Bennett G, Zinn N, Thomson DW et al.. (2016)
CZ415, a Highly Selective mTOR Inhibitor Showing in Vivo Efficacy in a Collagen Induced Arthritis Model.
ACS Med Chem Lett, 7 (8): 768-73. [PMID:27563401]