CHEMBL1337227
SMILES | O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCc2ccccc21 |
InChIKey | PNDJSCUNXBXHJX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 323.0 |
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 |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.79 | 5.79 | 5.79 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.26 | 5.26 | 5.26 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 4.83 | 4.83 | 4.83 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.26 | 5.4 | 5.55 | ChEMBL |