Ligand id: 4283

Name: phenylacetylrinvanil

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 23
Topological polar surface area 84.86
Molecular weight 551.36
XLogP 9.12
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Appendino G, Cascio MG, Bacchiega S, Moriello AS, Minassi A, Thomas A, Ross R, Pertwee R, De Petrocellis L, Di Marzo V. (2006)
First "hybrid" ligands of vanilloid TRPV1 and cannabinoid CB2 receptors and non-polyunsaturated fatty acid-derived CB2-selective ligands.
FEBS Lett., 580 (2): 568-74. [PMID:16406364]
2. Appendino G, De Petrocellis L, Trevisani M, Minassi A, Daddario N, Moriello AS, Gazzieri D, Ligresti A, Campi B, Fontana G et al.. (2005)
Development of the first ultra-potent "capsaicinoid" agonist at transient receptor potential vanilloid type 1 (TRPV1) channels and its therapeutic potential.
J. Pharmacol. Exp. Ther., 312 (2): 561-70. [PMID:15356216]
3. Luviano A, Aguiñiga-Sánchez I, Demare P, Tiburcio R, Ledesma-Martínez E, Santiago-Osorio E, Regla I. (2014)
Antineoplastic activity of rinvanil and phenylacetylrinvanil in leukaemia cell lines.
Oncol Lett, 7 (5): 1651-1656. [PMID:24765194]
4. Sánchez-Sánchez L, Alvarado-Sansininea JJ, Escobar ML, López-Muñoz H, Hernández-Vázquez JM, Monsalvo-Montiel I, Demare P, Regla I, Weiss-Steider B. (2015)
Evaluation of the antitumour activity of Rinvanil and Phenylacetylrinvanil on the cervical cancer tumour cell lines HeLa, CaSKi and ViBo.
Eur. J. Pharmacol., 758: 129-36. [PMID:25864613]