CHEMBL142957
SMILES | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 |
InChIKey | XVBPXSHOAVVRID-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
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 | 7.82 | 7.82 | 7.82 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.52 | 9.52 | 9.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |