NECA
SMILES | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N |
InChIKey | JADDQZYHOWSFJD-FLNNQWSLSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 308.1 |
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 |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 6.12 | 6.12 | 6.12 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.68 | 5.68 | 5.68 | Guide to Pharmacology |