CHEMBL131037
SMILES | COc1ccc(OC)c2c1C(=O)C(Cl)=C(Cl)C2=O |
InChIKey | DRGCWMGLVXZPIZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 286.0 |
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 |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.2 | 5.2 | 5.2 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 4.93 | 4.93 | 4.93 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 4.77 | 4.77 | 4.77 | ChEMBL |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |