GNF362   Click here for help

GtoPdb Ligand ID: 9548

Synonyms: example 71 [US20090306039]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GNF362 is a non-selective inhibitor of all three IP3 kinases [1] and is one of the structures claimed in patent US20090306039 [2].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 71.84
Molecular weight 426.18
XLogP 4.87
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES N#Cc1ccc(cc1)c1n[nH]cc1CN1CCN(C(C1)C)c1ccc(cn1)C(F)(F)F
Isomeric SMILES N#Cc1ccc(cc1)c1n[nH]cc1CN1CCN([C@@H](C1)C)c1ccc(cn1)C(F)(F)F
InChI InChI=1S/C22H21F3N6/c1-15-13-30(8-9-31(15)20-7-6-19(12-27-20)22(23,24)25)14-18-11-28-29-21(18)17-4-2-16(10-26)3-5-17/h2-7,11-12,15H,8-9,13-14H2,1H3,(H,28,29)/t15-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
example 71 [US20090306039]
Database Links Click here for help
GtoPdb PubChem SID 336446934
PubChem CID 57999583
Search Google for chemical match using the InChIKey VNTCGXMLDSKOKN-OAHLLOKOSA-N
Search Google for chemicals with the same backbone VNTCGXMLDSKOKN
UniChem Compound Search for chemical match using the InChIKey VNTCGXMLDSKOKN-OAHLLOKOSA-N
UniChem Connectivity Search for chemical match using the InChIKey VNTCGXMLDSKOKN-OAHLLOKOSA-N