2'-Me-CCPA
SMILES | OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 |
InChIKey | MMPAUXMIDJWGFO-ROMFRFKVSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 383.1 |
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 |
A3 | AA3R | Rat | Adenosine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.02 | 5.95 | 8.41 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.47 | 8.48 | 8.48 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 4.42 | 5.18 | 5.94 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 4.42 | 5.14 | 5.94 | ChEMBL |
A1 | AA1R | Bovine | Adenosine | A | pKi | 5.34 | 8.02 | 8.74 | ChEMBL |
A3 | AA3R | Rat | Adenosine | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |