CP105696
SMILES | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 |
InChIKey | KMNLXCBYBKHKSK-BKMJKUGQSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 428.2 |
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 |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.79 | 8.79 | 8.79 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.72 | 9.08 | 9.44 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.0 | 9.17 | 9.44 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKd | 8.8 | 9.15 | 9.5 | Guide to Pharmacology |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.1 | 8.65 | 9.2 | Guide to Pharmacology |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.42 | 8.61 | 8.79 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKd | 8.0 | 8.55 | 9.1 | Guide to Pharmacology |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.5 | 7.95 | 8.4 | Guide to Pharmacology |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.75 | 8.93 | 9.1 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKd | 8.2 | 8.7 | 9.2 | Guide to Pharmacology |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.1 | 8.4 | 8.7 | Guide to Pharmacology |
α2A | ADA2A | Mouse | Adrenoceptors | A | pKi | 9.21 | 9.21 | 9.21 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |