CHEMBL1487635
SMILES | Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 |
InChIKey | ZSMKPYXVUIWTCT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 298.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 6.2 | 6.23 | 6.26 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.59 | 5.59 | 5.59 | ChEMBL |