WAY 100,635
SMILES | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl |
InChIKey | QDUDBLVWOSYWID-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 530.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.66 | 9.36 | 10.0 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.03 | 6.75 | 7.11 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.43 | 6.8 | 7.17 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.96 | 5.96 | 5.96 | PDSP Ki database |
H2 | HRH2 | Guinea pig | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.62 | 9.62 | 9.62 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.5 | 6.0 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.04 | 5.08 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.3 | 5.61 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.2 | 5.46 | 5.72 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.55 | 6.55 | 6.55 | PDSP Ki database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.18 | 6.33 | 6.49 | PDSP Ki database |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.7 | 7.92 | 8.34 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.46 | 6.46 | 6.46 | PDSP Ki database |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.62 | 7.62 | 7.62 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.79 | 7.79 | 7.79 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H2 | HRH2 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H4 | HRH4 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.43 | 6.43 | 6.43 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H3 | HRH3 | Guinea pig | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.59 | 5.59 | 5.59 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 6.39 | 6.39 | 6.39 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |