(±)-adrenaline
SMILES | CNCC(c1ccc(c(c1)O)O)O |
InChIKey | UCTWMZQNUQWSLP-UHFFFAOYSA-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 |
Physiological/Surrogate | Endogenous |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.2 | 5.7 | 6.2 | Guide to Pharmacology |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.8 | 6.0 | 6.2 | Guide to Pharmacology |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 3.9 | 4.3 | 4.7 | Guide to Pharmacology |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.03 | 5.03 | 5.03 | PDSP Ki database |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.92 | 5.92 | 5.92 | PDSP Ki database |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.5 | 5.5 | 5.5 | ChEMBL |