3-azageranylgeranyl diphosphate

Ligand id: 3199

Name: 3-azageranylgeranyl diphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 136.15
Molecular weight 453.2
XLogP 2.11
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 enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
geranylgeranyl diphosphate synthase Inhibitor Inhibition 6.8 pIC50 - 1
pIC50 6.8 (IC50 1.4x10-7 M) [1]
Description: Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).
Conditions: Concentration of substrates: 25µM GPP or FPP, addition of 1.5µL of a 0.35mM solution of IPP. pH 7.9, 37°C