CHEMBL3623936
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CC(Br)P(=O)(O)O |
InChIKey | JGCATLCTRCCGRP-MZBATCKMSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 20 |
Molecular weight (Da) | 512.2 |
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 |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
LPA4 | LPAR4 | Human | Lysophospholipid (LPA) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |