compound 1754-31 [PMID: 23788657]


SMILES CC([C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](N1C[C@@H](Cc2ccc(cc2)O)N(C(=O)C1=O)CC1CCCCC1)Cc1ccc2c(c1)cccc2)C
InChIKey RWNPDBWKKCTTOI-WIQNKZILSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 721.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 8.3 8.3 8.3 ChEMBL
A3 AA3R Human Adenosine A pKi 6.72 6.72 6.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.96 7.96 7.96 ChEMBL
A1 AA1R Human Adenosine A pKi 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database