MRS1486
SMILES | CCOC(=O)c1c(CC)c(C(=O)SCC)c(nc1c1ccccc1)CCC |
InChIKey | GSMBGLUYORHXJR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 385.2 |
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 |
H1 | HRH1 | Human | Histamine | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
H2 | HRH2 | Human | Histamine | A | pKi | 6.3 | 7.15 | 8.0 | Guide to Pharmacology |
H1 | HRH1 | Human | Histamine | A | pKi | 6.45 | 6.45 | 6.45 | PDSP Ki database |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.48 | 7.48 | 7.48 | PDSP Ki database |
H1 | HRH1 | Guinea pig | Histamine | A | pKd | 7.65 | 7.65 | 7.65 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |