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 |
Bioactivities
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 | 7.32 | 7.71 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.06 | 6.13 | 6.52 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.19 | 8.9 | 10.0 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKd | 7.99 | 9.15 | 9.69 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.69 | 6.37 | 6.75 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 6.61 | 6.61 | 6.61 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.27 | 6.38 | 6.59 | PDSP Ki database |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.85 | 8.93 | 9.1 | PDSP Ki database |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.3 | 7.46 | 7.51 | PDSP Ki database |
A3 | AA3R | Human | Adenosine | A | pKi | 5.0 | 6.05 | 6.57 | PDSP Ki database |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.69 | 7.61 | 9.52 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 7.02 | 7.21 | 7.32 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 7.09 | 8.22 | 9.17 | ChEMBL |