doxepin
SMILES | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C |
InChIKey | ODQWQRRAPPTVAG-GZTJUZNOSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 279.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
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 |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pA2 | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 4.48 | 4.48 | 4.48 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.98 | 6.98 | 6.98 | ChEMBL |