RS-504393
SMILES | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C |
InChIKey | ODNICNWASXKNNQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 417.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | CCR2 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.9 | 9.9 | 9.9 | Guide to Pharmacology |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.2 | 5.2 | 5.2 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.94 | 9.94 | 9.94 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.94 | 10.23 | 10.52 | ChEMBL |
β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 10.05 | 10.05 | 10.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |