calindol

Ligand id: 719

Name: calindol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 27.82
Molecular weight 300.16
XLogP 7.38
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
CaS receptor Hs Allosteric modulator Positive 6.3 pKB - 1
pKB 6.3 [1]
Description: Ca2+i release
CaS receptor Hs Allosteric modulator Positive 6.0 – 6.5 pKd - 3-4
pKd 6.0 – 6.5 [3-4]
GPRC6 receptor Mm Allosteric modulator Negative ~5.0 pIC50 - 2
pIC50 ~5.0 (IC50 ~1x10-5 M) [2]
Description: This is an inferred IC50 based on 10µM of the compound inhibiting maximum L-ornithine-induced activation of GPCR6 by approximately 50% (see Fig 1B in reference).