Ligand id: 3498

Name: CRA1000

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 57.56
Molecular weight 476.24
XLogP 8.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CRF1 receptor Hs Antagonist Antagonist 6.4 – 7.1 pIC50 - 1
pIC50 6.4 – 7.1 (IC50 3.98x10-7 – 7.94x10-8 M) [1]