SDZ-216525
SMILES | COC(=O)c1[nH]c2c(c1)c(ccc2)N1CCN(CC1)CCCCN1C(=O)c2c(S1(=O)=O)cccc2 |
InChIKey | LPPRLWFUMJHAKF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 496.2 |
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 | 10.52 | 10.52 | 10.52 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 10.5 | 10.5 | 10.5 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 10.15 | 10.15 | 10.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |