Ligand id: 1547

Name: BIIE0246

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 5
Rotatable bonds 19
Topological polar surface area 219.11
Molecular weight 895.45
XLogP 7.48
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Doods H, Gaida W, Wieland HA, Dollinger H, Schnorrenberg G, Esser F, Engel W, Eberlein W, Rudolf K. (1999)
BIIE0246: A selective and high affinity neuropeptide Y Y2 receptor antagonist.
Eur. J. Pharmacol., 384: R3-R5. [PMID:10611450]
2. Goumain M, Voisin T, Lorinet AM, Ducroc R, Tsocas A, RozĂ© C, Rouet-Benzineb P, Herzog H, Balasubramaniam A, Laburthe M. (2001)
The peptide YY-preferring receptor mediating inhibition of small intestinal secretion is a peripheral Y(2) receptor: pharmacological evidence and molecular cloning.
Mol Pharmacol, 60: 124-134. [PMID:11408607]