CHEMBL40650
SMILES | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 |
InChIKey | OLPQNRLJYOGSGV-WMLDXEAASA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 448.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1F | 5HT1F | Rat | 5-Hydroxytryptamine | A | pKi | 5.47 | 5.47 | 5.47 | ChEMBL |
D1 | DRD1 | Mouse | Dopamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 7.88 | 7.88 | 7.88 | ChEMBL |
5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 7.89 | 7.89 | 7.89 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 8.93 | 8.93 | 8.93 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.57 | 9.57 | 9.57 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.01 | 9.01 | 9.01 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.78 | 7.78 | 7.78 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 4.97 | 4.97 | 4.97 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKd | 9.0 | 9.0 | 9.0 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.66 | 9.66 | 9.66 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.41 | 5.41 | 5.41 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.71 | 7.71 | 7.71 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |