I-BOP
SMILES | C1CC2C(C(C1O2)CC=CCCCC(=O)O)C=CC(COC3=CC=C(C=C3)I)O |
InChIKey | UYFMSCHBODMWON-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 512.1 |
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 |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
FP | PF2R | Mouse | Prostanoid | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 6.66 | 6.66 | 6.66 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |