WZ4003   Click here for help

GtoPdb Ligand ID: 8047

Synonyms: WZ-4003
Compound class: Synthetic organic
Comment: WZ4003 is a selective inhibitor of the AMP-activated protein kinases, NUAK1 and NUAK2 [1].
N.B. compare to HTH-01-015 which is selective for NUAK1. HTH-01-015 and WZ4003 can be used as chemical probes to delineate the biological roles of the NUAK kinases.
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 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 91.85
Molecular weight 496.2
XLogP 3.89
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C
Isomeric SMILES CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C
InChI InChI=1S/C25H29ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 1214265-58-3
GtoPdb PubChem SID 249565727
PubChem CID 72200024
Search Google for chemical match using the InChIKey SDGJBAUIGHSMRI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SDGJBAUIGHSMRI
UniChem Compound Search for chemical match using the InChIKey SDGJBAUIGHSMRI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SDGJBAUIGHSMRI-UHFFFAOYSA-N

Product suppliers

View disclaimer

WZ 4003 (links to external site)
Cat. No. 5177