CHEMBL11265
SMILES | COc1cccc2c1CC1(CCCN1CCCCN1C(=O)CC3(CCCC3)CC1=O)CO2 |
InChIKey | XVCOCVUIJOUBOY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 440.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Bovine | Dopamine | A | pIC50 | 4.63 | 4.64 | 4.65 | ChEMBL |
D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 4.88 | 4.92 | 4.95 | ChEMBL |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 4.51 | 5.27 | 5.89 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.18 | 5.3 | 5.42 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.94 | 7.36 | 8.17 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.97 | 7.97 | 7.97 | ChEMBL |