Rec 15/2615
SMILES | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C |
InChIKey | ZZMFJJDBKSYGRM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 495.2 |
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 |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 9.39 | 9.39 | 9.39 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP3 | PE2R3 | Mouse | Prostanoid | A | pIC50 | 8.26 | 8.26 | 8.26 | ChEMBL |