Ligand id: 5148

Name: BAY-X1005

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59.42
Molecular weight 361.17
XLogP 5.36
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Dixon RA, Diehl RE, Opas E, Rands E, Vickers PJ, Evans JF, Gillard JW, Miller DK. (1990)
Requirement of a 5-lipoxygenase-activating protein for leukotriene synthesis.
Nature, 343 (6255): 282-4. [PMID:2300173]
2. Hatzelmann A, Fruchtmann R, Mohrs KH, Raddatz S, Müller-Peddinghaus R. (1993)
Mode of action of the new selective leukotriene synthesis inhibitor BAY X 1005 ((R)-2-[4-(quinolin-2-yl-methoxy)phenyl]-2-cyclopentyl acetic acid) and structurally related compounds.
Biochem. Pharmacol., 45 (1): 101-11. [PMID:8381000]