CHEMBL1929551
SMILES | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCSCCCC(=O)O)c1 |
InChIKey | SJTWUBFMJFGENT-HKBUGEINSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 407.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Rat | Prostanoid | A | pEC50 | 8.11 | 8.11 | 8.11 | ChEMBL |