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
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.
Database Links
ChEMBL Ligand CHEMBL1206141
GtoPdb PubChem SID 315661115
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