CHEMBL64804
SMILES | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O |
InChIKey | XEYBRNLFEZDVAW-GKEZHNTDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 352.2 |
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 |
EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 8.51 | 8.51 | 8.51 | ChEMBL |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 9.85 | 9.85 | 9.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Mouse | Prostanoid | A | pEC50 | 8.68 | 8.68 | 8.68 | ChEMBL |
IP | PI2R | Human | Prostanoid | A | pEC50 | 6.58 | 6.58 | 6.58 | ChEMBL |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 7.23 | 7.23 | 7.23 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 9.42 | 9.42 | 9.42 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 9.32 | 9.81 | 10.3 | ChEMBL |