K185
| SMILES | CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2 |
| InChIKey | SPIFQXPRSJKRAO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 376.2 |
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 |
| MT1 | MTR1A | Human | Melatonin | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| MT2 | MTR1B | Human | Melatonin | A | pKi | 9.29 | 9.29 | 9.29 | Guide to Pharmacology |
| MT2 | MTR1B | Human | Melatonin | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
| MT1 | MTR1A | Human | Melatonin | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |