Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

33056 - Overview - Compound Synopsis

Synonyms
ABGACP
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Molecular Formula
C11H18N5O12P3
InChI
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Smiles
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O
Cross References
UniChem169415
canSAR33056
PDBe (Protein Data Bank Europe)ABG
PDBe (Protein Data Bank Europe)ACP
ChEMBLCHEMBL133463
BindingDB18135
BindingDB50370142
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 505.016480906-1.518181749Yes


Compounds with the same scaffold


Image of compound ID: 33056
Murko Scaffold Family: 1742 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12