CHEMBL116463
SMILES | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 |
InChIKey | GALCSZPFCCZIBC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 517.3 |
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 |
D5 | DRD5 | Human | Dopamine | A | pIC50 | 6.29 | 6.29 | 6.29 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.45 | 5.45 | 5.45 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.34 | 6.34 | 6.34 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.26 | 6.26 | 6.26 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.37 | 6.37 | 6.37 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.27 | 6.27 | 6.27 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.17 | 6.17 | 6.17 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 5.22 | 5.22 | 5.22 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.18 | 5.18 | 5.18 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 5.21 | 5.21 | 5.21 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.26 | 6.26 | 6.26 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.56 | 5.56 | 5.56 | ChEMBL |