CHEMBL179743
SMILES | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC |
InChIKey | WDWPULBPXBZDDC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 445.2 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 9.05 | 9.05 | 9.05 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 8.51 | 8.51 | 8.51 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.17 | 9.17 | 9.17 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.64 | 7.64 | 7.64 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.03 | 9.03 | 9.03 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |