(+)-adrenaline
SMILES | CNC[C@H](c1ccc(c(c1)O)O)O |
InChIKey | UCTWMZQNUQWSLP-SECBINFHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 183.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Endogenous |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |