CHEMBL338029
SMILES | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O |
InChIKey | OTPCOGQCPMOGMX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 13 |
Molecular weight (Da) | 600.3 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 8.64 | 8.64 | 8.64 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 10.03 | 10.03 | 10.03 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |