CHEMBL50081
SMILES | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 |
InChIKey | FMYNAWYOKZCTHQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 554.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.46 | 6.46 | 6.46 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.64 | 8.64 | 8.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |