ARL 67156

Ligand id: 9030

Name: ARL 67156

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 6
Rotatable bonds 11
Topological polar surface area 276.55
Molecular weight 716.9
XLogP -2.7
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
Synonyms
6-N,N-diethyl-beta,gamma-dibromomethylene-D-ATP | ARL-67156 | FPL 67156 | FPL-67156
Database Links
ChEMBL Ligand CHEMBL1206141
PubChem CID 10078572
RCSB PDB Ligand ARU
Search Google for chemical match using the InChIKey ILXFKEOLRYLPJG-IDTAVKCVSA-N
Search Google for chemicals with the same backbone ILXFKEOLRYLPJG
Search UniChem for chemical match using the InChIKey ILXFKEOLRYLPJG-IDTAVKCVSA-N
Search UniChem for chemicals with the same backbone ILXFKEOLRYLPJG
Comments
ARL 67156 is a research compound used experimantally as the trisodium salt PubChem CID 11957464). It is an inhibitor of ecto-ATPase activity. Structurally, ARL 67156 is an analogue of ATP and therefore competes with substrate at the enzyme.