TCPA


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=N/C(=O)Nc1ccccc1)nc2NC1CCCC1
InChIKey RZJAODYQRFMAKN-WVSUBDOOSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 7
Molecular weight (Da) 497.2

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
A3 AA3R Human Adenosine A pKi 6.22 6.22 6.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A1 AA1R Human Adenosine A pKi 8.55 8.55 8.55 ChEMBL
A1 AA1R Human Adenosine A pKi 8.55 8.55 8.55 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.68 6.68 6.68 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.22 6.22 6.22 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 8.82 8.82 8.82 ChEMBL