CHEMBL1549996
| SMILES | Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccnc2)cc1 |
| InChIKey | VDUUMTSSSCKCBH-VMPITWQZSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 404.1 |
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 |
| NPBW1 | NPBW1 | Human | Neuropeptide W/neuropeptide B | A | pIC50 | 4.77 | 4.77 | 4.77 | ChEMBL |
| MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |