CHEMBL113956
SMILES | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 |
InChIKey | NFBNIRNKYJTDIE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 521.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D5 | DRD5 | Human | Dopamine | A | pIC50 | 5.84 | 5.84 | 5.84 | ChEMBL |
NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.29 | 5.29 | 5.29 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.69 | 5.69 | 5.69 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.47 | 6.47 | 6.47 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 5.61 | 5.61 | 5.61 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.54 | 5.54 | 5.54 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 5.74 | 5.74 | 5.74 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |