CHEMBL4125846
SMILES | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC |
InChIKey | CMYABLZXUMAVKE-LOSJGSFVSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 511.3 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 6.87 | 6.87 | 6.87 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.93 | 8.93 | 8.93 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.65 | 8.65 | 8.65 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |