N-Benzo[1,3]dioxol-5-yl-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide


SMILES CCCCN(C)N=O
InChIKey PKTSCJXWLVREKX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 116.1

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 6.7 6.7 6.7 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 8.26 8.26 8.26 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.06 6.06 6.06 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.04 6.04 6.04 PDSP Ki database
H1 HRH1 Human Histamine A pKi 6.72 6.72 6.72 PDSP Ki database
H3 HRH3 Human Histamine A pKi 8.49 8.49 8.49 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.65 6.65 6.65 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 8.02 8.15 8.28 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.55 6.55 6.55 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database