KRP 203-phosphate
SMILES | OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N |
InChIKey | BZVUYJGCYLMFGX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 509.1 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKd | 9.8 | 9.8 | 9.8 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKi | 9.3 | 9.34 | 9.4 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKd | 9.77 | 9.77 | 9.77 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.35 | 7.07 | 7.43 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.43 | 7.43 | 7.43 | PDSP Ki database |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.48 | 6.48 | 6.48 | PDSP Ki database |
A2B | AA2BR | Human | Adenosine | A | pKi | 9.39 | 9.39 | 9.39 | PDSP Ki database |
A3 | AA3R | Human | Adenosine | A | pKi | 6.35 | 6.35 | 6.35 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |