2-O-ethyl-PAF C-16
SMILES | CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)O)OCC |
InChIKey | LPHUUVMLQFHHQG-UHFFFAOYSA-O |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 26 |
Molecular weight (Da) | 510.4 |
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 |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 7.89 | 7.89 | 7.89 | Guide to Pharmacology |
EP4 | Q9TU16 | Dog | Prostanoid | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKd | 8.11 | 8.11 | 8.11 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 6.35 | 6.86 | 7.89 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKd | 8.32 | 8.32 | 8.32 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pKd | 8.19 | 8.19 | 8.19 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 5.79 | 6.65 | 7.93 | ChEMBL |