CHEMBL43860
SMILES | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 |
InChIKey | FKKPXTRMLVLGJG-JOCHJYFZSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 485.2 |
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 | 7.43 | 7.43 | 7.43 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |