CHEMBL122757
SMILES | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 |
InChIKey | PDQNCKWPRIQWGX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 506.9 |
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 |
TP | TA2R | Human | Prostanoid | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.52 | 9.52 | 9.52 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.74 | 6.74 | 6.74 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |