MEDETOMIDINE
SMILES | Cc1cccc(C(C)c2c[nH]cn2)c1C |
InChIKey | CUHVIMMYOGQXCV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 1 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 200.1 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | PDSP Ki database |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.7 | 6.9 | 7.1 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.8 | 8.22 | 8.69 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.47 | 7.96 | 8.7 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.02 | 7.81 | 8.6 | PDSP Ki database |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 7.2 | 7.2 | 7.2 | PDSP Ki database |
α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | PDSP Ki database |
α2A | ADA2A | Mouse | Adrenoceptors | A | pKi | 8.47 | 8.47 | 8.47 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |