L-798,106
SMILES | COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2c(c1)cccc2)Br |
InChIKey | ODTKFNUPVBULRJ-NTCAYCPXSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 535.0 |
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 | Human | Prostanoid | A | pKi | 8.16 | 8.69 | 9.22 | ChEMBL |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 4.41 | 4.41 | 4.41 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 7.77 | 8.73 | 9.68 | Guide to Pharmacology |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |