L-368,899


SMILES O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C
InChIKey MWIASLNTAGRGGA-ZJPWWDJASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 554.3

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
A1 AA1R Human Adenosine A pKi 5.55 5.55 5.55 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.0 6.0 6.0 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.77 7.77 7.77 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.98 5.98 5.98 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.77 7.77 7.77 ChEMBL
A3 AA3R Human Adenosine A pKi 5.98 5.98 5.98 ChEMBL
A1 AA1R Human Adenosine A pKi 5.55 5.55 5.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Mouse Adenosine A pIC50 6.19 6.33 6.46 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.49 6.49 6.49 ChEMBL