CHEMBL3808717
SMILES | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 |
InChIKey | PRXOMQQBQYMDMK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 14 |
Molecular weight (Da) | 521.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 5.12 | 5.12 | 5.12 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |