LP-44
SMILES | CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2 |
InChIKey | JNBBJUHCODFLEG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 451.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.23 | 6.23 | 6.23 | ChEMBL |