CHEMBL3808408
SMILES | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 |
InChIKey | RKHBPDFPBLQPEZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 427.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.8 | 7.8 | 7.8 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.32 | 8.32 | 8.32 | ChEMBL |