PIK-93   Click here for help

GtoPdb Ligand ID: 6062

Synonyms: PIK 93 | PIK93
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 145.01
Molecular weight 389.03
XLogP 0.72
No. Lipinski's rules broken 0
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Canonical SMILES OCCNS(=O)(=O)c1cc(ccc1Cl)c1sc(nc1C)NC(=O)C
Isomeric SMILES OCCNS(=O)(=O)c1cc(ccc1Cl)c1sc(nc1C)NC(=O)C
InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
Classification Click here for help
Compound class Synthetic organic
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PIK 93 | PIK93
Database Links Click here for help
CAS Registry No. 593960-11-3 (source: SciFinder)
ChEMBL Ligand CHEMBL1229535
DrugBank Ligand DB06836
GtoPdb PubChem SID 178102683
PubChem CID 6852167
RCSB PDB Ligand 093
Search Google for chemical match using the InChIKey JFVNFXCESCXMBC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JFVNFXCESCXMBC
SynPHARM 78591 (in complex with phosphatidylinositol 4-kinase beta)
UniChem Compound Search for chemical match using the InChIKey JFVNFXCESCXMBC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JFVNFXCESCXMBC-UHFFFAOYSA-N

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PIK 93 (links to external site)
Cat. No. 6440