Chembl2414812

Chemical Properties

SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)CCC4=CC5Cc6c(C)cc(C)n6[B-](F)(F)[N+]5=C4)ncnc32)[C@H](O)[C@@H]1O
Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 18
Molecular weight 768.4

Drug Properties

Type Small molecule
Endogenous No
Approved No
InChIKey KALGXDIVDLLYAP-BLFUEQJCSA-N

Database Connections

External Links


Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 6.57 6.57 6.57 ChEMBL