BENZAMIL
SMILES | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 |
InChIKey | KXDROGADUISDGY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 319.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
μ | OPRM | Rat | Opioid | A | pKi | 5.96 | 5.96 | 5.96 | PDSP Ki database |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.01 | 6.01 | 6.01 | PDSP Ki database |
CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.24 | 5.24 | 5.24 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.72 | 5.72 | 5.72 | PDSP Ki database |
κ | OPRK | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
A1 | AA1R | Bovine | Adenosine | A | pKi | 6.19 | 6.19 | 6.19 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.12 | 5.12 | 5.12 | PDSP Ki database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.54 | 5.54 | 5.54 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.55 | 5.55 | 5.55 | PDSP Ki database |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 5.49 | 5.49 | 5.49 | PDSP Ki database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.82 | 4.85 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |