ozagrel

Ligand id: 9866

Name: ozagrel

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 55.12
Molecular weight 228.09
XLogP 1.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Hibi S, Okamoto Y, Tagami K, Numata H, Kobayashi N, Shinoda M, Kawahara T, Harada K, Miyamoto K, Yamatsu I. (1996)
Structure-activity relationships of (E)-3-(1,4-benzoquinonyl)-2-[(3-pyridyl)-alkyl]-2-propenoic acid derivatives that inhibit both 5-lipoxygenase and thromboxane A2 synthetase.
J. Med. Chem., 39 (16): 3148-57. [PMID:8759636]
2. Hiraku S, Taniguchi K, Wakitani K, Omawari N, Kira H, Miyamoto T, Okegawa T, Kawasaki A, Ujiie A. (1986)
Pharmacological studies on the TXA2 synthetase inhibitor (E)-3-[p-(1H-imidazol-1-ylmethyl)phenyl]-2-propenoic acid (OKY-046).
Jpn. J. Pharmacol., 41 (3): 393-401. [PMID:3093741]
3. Yamaguchi M, Kamei K, Koga T, Akima M, Maruyama A, Kuroki T, Ohi N. (1993)
Novel antiasthmatic agents with dual activities of thromboxane A2 synthetase inhibition and bronchodilation. 2. 4-(3-Pyridyl)-1(2H)-phthalazinones.
J. Med. Chem., 36 (25): 4061-8. [PMID:8258828]