αβ-meATP

Ligand id: 4093

Name: αβ-meATP

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View more information in the IUPHAR Pharmacology Education Project: crizotinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 299.33
Molecular weight 505.02
XLogP -5.65
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl](hydroxy)phosphoryl}oxy)phosphonic acid
Synonyms
αβ-methylene-adenosine 5'-triphosphate
Database Links
CAS Registry No. 7292-42-4 (source: Scifinder)
ChEBI CHEBI:35056
ChEMBL Ligand CHEMBL132722
PubChem CID 91557
RCSB PDB Ligand APC
Search Google for chemical match using the InChIKey CAWZRIXWFRFUQB-IOSLPCCCSA-N
Search Google for chemicals with the same backbone CAWZRIXWFRFUQB
Search UniChem for chemical match using the InChIKey CAWZRIXWFRFUQB-IOSLPCCCSA-N
Search UniChem for chemicals with the same backbone CAWZRIXWFRFUQB