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 |
Endogenous/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 |