NPS 2143
SMILES | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O |
InChIKey | PZUJQWHTIRWCID-HXUWFJFHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 408.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.4 | 6.7 | 7.0 | Guide to Pharmacology |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.02 | 6.07 | 6.18 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.54 | 5.98 | 6.2 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 4.95 | 5.45 | 5.95 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pIC50 | 5.89 | 7.32 | 8.04 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pIC50 | 5.48 | 6.1 | 6.72 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.17 | 7.7 | 10.02 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 6.54 | 6.92 | 7.3 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 8.08 | 8.37 | 8.66 | ChEMBL |
β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 8.04 | 8.04 | 8.04 | ChEMBL |