CHEMBL2419141
SMILES | CCCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S |
InChIKey | JBRMMYGZXWQQNS-VCHYOVAHSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 335.0 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.02 | 8.02 | 8.02 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 4.61 | 4.61 | 4.61 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |