Ligand id: 2648

Name: tamibarotene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 66.4
Molecular weight 351.18
XLogP 7.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Kagechika H, Kawachi E, Hashimoto Y, Himi T, Shudo K. (1988)
Retinobenzoic acids. 1. Structure-activity relationships of aromatic amides with retinoidal activity.
J. Med. Chem., 31 (11): 2182-92. [PMID:3184125]
2. Nagy L, Thomázy VA, Shipley GL, Fésüs L, Lamph W, Heyman RA, Chandraratna RA, Davies PJ. (1995)
Activation of retinoid X receptors induces apoptosis in HL-60 cell lines.
Mol. Cell. Biol., 15 (7): 3540-51. [PMID:7791761]
3. Takenaga M, Ohta Y, Tokura Y, Hamaguchi A, Shudo K, Okano H, Igarashi R. (2009)
The effect of Am-80, a synthetic retinoid, on spinal cord injury-induced motor dysfunction in rats.
Biol. Pharm. Bull., 32 (2): 225-31. [PMID:19182380]
4. Thacher SM, Vasudevan J, Chandraratna RA. (2000)
Therapeutic applications for ligands of retinoid receptors.
Curr. Pharm. Des., 6 (1): 25-58. [PMID:10637371]
5. Vizirianakis IS, Chatzopoulou M, Bonovolias ID, Nicolaou I, Demopoulos VJ, Tsiftsoglou AS. (2010)
Toward the development of innovative bifunctional agents to induce differentiation and to promote apoptosis in leukemia: clinical candidates and perspectives.
J. Med. Chem., 53 (19): 6779-810. [PMID:20925433]