compound 49 [PMID: 24405707]

Ligand id: 8992

Name: compound 49 [PMID: 24405707]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 104.74
Molecular weight 708.42
XLogP 5.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
CGRP receptor Hs Antagonist Antagonist 10.5 pKi - 1
pKi 10.5 (Ki 3x10-11 M) [1]
Description: Binding assay with cell membranes treated with 125I-CGRP.