PD 168368
SMILES | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] |
InChIKey | AFDXUTWMFMAQJO-PMERELPUSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 9 |
Molecular weight (Da) | 554.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 9.22 | 9.22 | 9.22 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 9.22 | 9.22 | 9.22 | Guide to Pharmacology |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 10.0 | 10.0 | 10.0 | ChEMBL |