AZD5423   Click here for help

GtoPdb Ligand ID: 13017

Synonyms: AZD-5423 | compound 1b [PMID: 28937774]
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AZD5423 was originally reported as a selective glucocorticoid receptor modulator (SGRM) and investigated for anti-inflammatory potential [1,3]. Using a virtual screening strategy it has subsequently been shown to inhibit activation of receptor interacting serine/threonine kinase 3 (RIPK3) [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 63.16
Molecular weight 487.45
XLogP 3.49
No. Lipinski's rules broken 0
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Canonical SMILES C[C@@H]([C@@H](C1=CC=CC(=C1)OC)OC2=CC3=C(C=C2)N(C4=CC=C(C=C4)F)N=C3)NC(=O)C(F)(F)F
Isomeric SMILES C[C@@H]([C@@H](C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)NC(=O)C(F)(F)F
InChI InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AZD-5423 | compound 1b [PMID: 28937774]
Database Links Click here for help
BindingDB Ligand 50250112
CAS Registry No. 1034148-04-3 (source: PubChem)
ChEMBL Ligand CHEMBL4072756
DrugBank Ligand DB12280
GtoPdb PubChem SID 485206138
PubChem CID 24825740
RCSB PDB Ligand 8W8
Search Google for chemical match using the InChIKey FCNQMDSJHADDFT-WNSKOXEYSA-N
Search Google for chemicals with the same backbone FCNQMDSJHADDFT
UniChem Compound Search for chemical match using the InChIKey FCNQMDSJHADDFT-WNSKOXEYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FCNQMDSJHADDFT-WNSKOXEYSA-N