CHEMBL1344225
SMILES | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 |
InChIKey | UKBGNIASULYWLD-FOCLMDBBSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 398.0 |
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 | 6.4 | 6.4 | 6.4 | ChEMBL |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.01 | 6.06 | 6.12 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.65 | 5.77 | 6.0 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.33 | 5.38 | 5.42 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 5.65 | 5.65 | 5.65 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.35 | 5.35 | 5.35 | ChEMBL |