L-054,522


SMILES NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2
InChIKey WFCIXKAZBUIFTR-PKIMSIDOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 645.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7XN9

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 8.46 8.46 8.46 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 8.46 8.46 8.46 ChEMBL
A3 AA3R Human Adenosine A pKi 8.7 8.7 8.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.55 7.55 7.55 ChEMBL
A1 AA1R Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database