CHEMBL1468612
SMILES | CC(C)(C)OC(=O)N1CCC(c2cc(O)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)CC1 |
InChIKey | BCQKLGVGCVHQQH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 489.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 5.85 | 5.93 | 6.02 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pEC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pIC50 | 4.59 | 4.59 | 4.59 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.6 | 4.6 | 4.6 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 4.98 | 4.98 | 4.98 | ChEMBL |