tonapofylline


SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O
InChIKey ZWTVVWUOTJRXKM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 416.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 8.13 8.13 8.13 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.19 5.19 5.19 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.05 7.05 7.05 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 5.61 5.61 5.61 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 5.61 5.61 5.61 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.89 8.93 9.0 ChEMBL
A1 AA1R Rat Adenosine A pKd 9.8 9.8 9.8 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.19 5.19 5.19 ChEMBL
A1 AA1R Human Adenosine A pKi 8.13 8.14 8.15 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.19 5.19 5.19 PDSP Ki database
A1 AA1R Human Adenosine A pKi 8.13 8.13 8.13 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 7.05 7.05 7.05 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 8.89 8.89 8.89 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database