WB 4101
SMILES | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC |
InChIKey | GYSZUJHYXCZAKI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 345.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
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 | pEC50 | 6.04 | 6.04 | 6.04 | Guide to Pharmacology |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.64 | 5.64 | 5.64 | Guide to Pharmacology |
S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.12 | 8.12 | 8.12 | Guide to Pharmacology |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.13 | 8.13 | 8.13 | Guide to Pharmacology |