ST-1535


SMILES CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1
InChIKey CYYQMAWUIRPCNW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 272.2

Drug properties

Molecular type Small molecule
Physiological/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 7.14 7.14 7.14 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 8.18 8.18 8.18 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.45 6.45 6.45 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.45 6.45 6.45 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.97 8.14 8.18 ChEMBL
A1 AA1R Human Adenosine A pKi 7.0 7.1 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.37 6.37 6.37 ChEMBL