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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CaS | CASR | Human | Calcium-sensing | C | pIC50 | 7.1 | 7.25 | 7.4 | Guide to Pharmacology |
CaS | CASR | Human | Calcium-sensing | C | pKB | 6.2 | 6.45 | 6.7 | Guide to Pharmacology |
mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKB | 5.08 | 5.08 | 5.08 | Guide to Pharmacology |
CaS | CASR | Bovine | Calcium-sensing | C | pEC50 | 7.39 | 7.39 | 7.39 | ChEMBL |
CaS | CASR | Rat | Calcium-sensing | C | pIC50 | 6.28 | 6.31 | 6.34 | ChEMBL |
CaS | CASR | Human | Calcium-sensing | C | pIC50 | 7.3 | 7.92 | 10.24 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.37 | 6.87 | 8.37 | ChEMBL |
GPRC6 | GPC6A | Mouse | C Orphans | C | pIC50 | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |