CLOSANTEL
SMILES | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O |
InChIKey | JMPFSEBWVLAJKM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 661.9 |
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 |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.27 | 7.27 | 7.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.15 | 5.15 | 5.15 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 7.02 | 7.02 | 7.02 | ChEMBL |