CHEMBL1258223
SMILES | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 |
InChIKey | WKWADEWWLCVVLF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 396.2 |
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 |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.07 | 5.07 | 5.07 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 9.24 | 9.24 | 9.24 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.65 | 5.65 | 5.65 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
D4 | DRD4 | Rat | Dopamine | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pEC50 | 7.85 | 7.85 | 7.85 | ChEMBL |