tretoquinol
SMILES | COC1=CC(C[C@@H]2NCCC3=CC(O)=C(O)C=C23)=CC(OC)=C1OC |
InChIKey | RGVPOXRFEPSFGH-AWEZNQCLSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 345.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TP | TA2R | Human | Prostanoid | A | pIC50 | 8.2 | 8.2 | 8.2 | Drug Central |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 8.12 | 8.12 | 8.12 | Drug Central |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pEC50 | 8.17 | 8.17 | 8.17 | Drug Central |