CHEMBL91415
SMILES | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 |
InChIKey | WJRKWJSQVYFSFK-PKUSAGTQSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 607.3 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.65 | 6.65 | 6.65 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.95 | 8.95 | 8.95 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |