alitretinoin

Ligand id: 2645

Name: alitretinoin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 37.3
Molecular weight 300.21
XLogP 6.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
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9-cis retinoic acid is a high affinity ligand for the retinoid X receptor.
Cell68 (2): 397-406. [PMID:1310260]
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Retinobenzoic acids. 1. Structure-activity relationships of aromatic amides with retinoidal activity.
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Activation of specific RXR heterodimers by an antagonist of RXR homodimers.
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9-cis retinoic acid stereoisomer binds and activates the nuclear receptor RXR alpha.
Nature355 (6358): 359-61. [PMID:1309942]
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Activation of retinoid X receptors induces apoptosis in HL-60 cell lines.
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Fatty acid binding proteins from different tissues show distinct patterns of fatty acid interactions.
Biochemistry39 (24): 7197-204. [PMID:10852718]
11. Wallin R, Wajih N, Hutson SM. (2008)
VKORC1: a warfarin-sensitive enzyme in vitamin K metabolism and biosynthesis of vitamin K-dependent blood coagulation factors.
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