CHEMBL326263
SMILES | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 |
InChIKey | JJKPSOUEWPDPFS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 503.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pIC50 | 5.99 | 5.99 | 5.99 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.84 | 5.84 | 5.84 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.11 | 6.11 | 6.11 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.95 | 5.95 | 5.95 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.71 | 6.71 | 6.71 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.15 | 6.15 | 6.15 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.99 | 5.99 | 5.99 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.83 | 5.83 | 5.83 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.65 | 5.65 | 5.65 | ChEMBL |