Zm-241385


SMILES Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1
InChIKey PWTBZOIUWZOPFT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 337.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 6.1 6.35 6.6 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 8.8 8.95 9.1 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.8 7.5 8.2 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.13 6.13 6.13 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.28 8.56 9.05 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.17 6.25 6.38 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.18 7.33 7.71 ChEMBL
A2B AA2BR Human Adenosine A pIC50 7.02 7.21 7.32 ChEMBL
A3 AA3R Human Adenosine A pKi 6.06 6.14 6.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.19 8.91 10.0 ChEMBL
A2A AA2AR Human Adenosine A pKd 7.99 9.12 9.69 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.09 8.09 9.17 ChEMBL
A1 AA1R Human Adenosine A pKi 5.69 6.38 6.75 ChEMBL
A1 AA1R Human Adenosine A pKd 6.61 6.61 6.61 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.85 7.93 8.1 PDSP Ki database
A3 AA3R Human Adenosine A pKi 4.0 5.05 5.57 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.27 5.38 5.59 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 6.3 6.46 6.51 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 4.69 6.61 8.52 PDSP Ki database