CHEMBL1085191
SMILES | CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 |
InChIKey | JOAQPIKVUDKYHT-FQEVSTJZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 13 |
Molecular weight (Da) | 359.3 |
Drug properties
Molecular type | Small molecule |
Physiological/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 |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.02 | 6.02 | 6.02 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.17 | 6.17 | 6.17 | ChEMBL |
S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.44 | 5.44 | 5.44 | ChEMBL |