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 ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CaS receptor Allosteric modulator Positive 6.3 pKB - 1
pKB 6.3 [1]
Description: Ca2+i release
CaS receptor Allosteric modulator Positive 6.0 – 6.5 pKd - 3-4
pKd 6.0 – 6.5 [3-4]
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GPRC6 receptor 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).