CID2745687
SMILES | COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F |
InChIKey | CYNLZIBKERMMOA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 395.1 |
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 |
GPR35 | GPR35 | Human | A orphans | A | pKi | 7.63 | 7.63 | 7.63 | Guide to Pharmacology |
GPR35 | GPR35 | Human | A orphans | A | pKi | 6.63 | 7.0 | 7.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR35 | GPR35 | Human | A orphans | A | pIC50 | 5.84 | 5.84 | 5.84 | Guide to Pharmacology |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 5.04 | 5.04 | 5.04 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pIC50 | 4.98 | 6.21 | 6.8 | ChEMBL |