BW-723C86
SMILES | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl |
InChIKey | PYJBJMIBANAOFJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 322.1 |
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-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 6.71 | 7.2 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.82 | 8.97 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.64 | 7.11 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.3 | 6.1 | 6.6 | PDSP Ki database |
5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 7.6 | 7.84 | 7.9 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | PDSP Ki database |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | PDSP Ki database |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 5.1 | 5.1 | 5.1 | PDSP Ki database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | PDSP Ki database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β2 | ADRB2 | 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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D4 | DRD4 | 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 |
5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | PDSP Ki database |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β1 | H0W3H1 | Guinea pig | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.3 | 6.3 | PDSP Ki database |
M3 | H0W1Z3 | Guinea pig | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |