CHEMBL342062
SMILES | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC |
InChIKey | XBRXTUGRUXGBPX-SJORKVTESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 437.2 |
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 |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 10.12 | 10.12 | 10.12 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.16 | 9.73 | 10.15 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.73 | 7.73 | 7.73 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 9.23 | 9.23 | 9.23 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.49 | 9.36 | 10.22 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.08 | 5.08 | 5.08 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.91 | 8.57 | 9.23 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |