PF‐06928215   Click here for help

GtoPdb Ligand ID: 11324

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PF-06928215 is reported as a small molecule, high affinity inhibitor of cyclic GMP-AMP synthase (cGAS) [1]. It was identified using a high throughput cGAS fluorescence polarisation (FP)-based assay. The action of PF-06928215 confirmed cGAS' druggability, and can be used as an experimental tool compound.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 116.56
Molecular weight 380.15
XLogP 4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]n2c1nc(cc2=O)c1ccccc1
Isomeric SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]n2c1nc(cc2=O)c1ccccc1
InChI InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,21H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1
InChI Key WGQGCLHXUPGUSZ-HIFRSBDPSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1R,2S)-2-[(7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
Database Links Click here for help
GtoPdb PubChem SID 434321759
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