CHEMBL1346587
SMILES | COc1ccc(-c2cc(N)n(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1OC |
InChIKey | PHKZOYOYFRWNDT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 449.0 |
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 |
CCR6 | CCR6 | Human | Chemokine | A | pIC50 | 4.49 | 4.49 | 4.49 | ChEMBL |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.95 | 4.95 | 4.95 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.1 | 5.13 | 5.15 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 6.1 | 6.1 | 6.1 | ChEMBL |