CHEMBL3805044
SMILES | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCCOc3ccccc3)O2)n1 |
InChIKey | XIVLPTBYQGCIIK-YRGVVPAESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 403.1 |
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 |
EP1 | PE2R1 | Human | Prostanoid | A | pEC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |