CHEMBL43594
SMILES | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C |
InChIKey | LEVRYVCMBBJQLU-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 549.2 |
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 |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.18 | 5.18 | 5.18 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 4.87 | 4.87 | 4.87 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |