2MeSADP

Ligand id: 1710

Name: 2MeSADP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 7
Topological polar surface area 277.52
Molecular weight 473.02
XLogP -3.47
No. Lipinski's rules broken 2

Molecular properties generated using the CDK
Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Synonyms
2-MeSADP | 2-methylthio-adenosine-5'-diphosphate | 2-methylthio-ADP
Database Links
CAS Registry No. 34983-48-7 (source: Scifinder)
ChEMBL Ligand CHEMBL435402
GtoPdb PubChem SID 135651401
PubChem CID 121990
RCSB PDB Ligand 6AD
Search Google for chemical match using the InChIKey WLMZTKAZJUWXCB-KQYNXXCUSA-N
Search Google for chemicals with the same backbone WLMZTKAZJUWXCB
Search UniChem for chemical match using the InChIKey WLMZTKAZJUWXCB-KQYNXXCUSA-N
Search UniChem for chemicals with the same backbone WLMZTKAZJUWXCB
SynPHARM 4077 (in complex with P2Y12 receptor)