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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.65 | 6.65 | 6.65 | 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 |
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 |