L-644,698
SMILES | CCCCCC(CCN1C(CCCc2ccc(cc2)C(=O)O)SCC1=O)O |
InChIKey | NDAXAJCKSWCWQI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 393.2 |
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 |
DP1 | PD2R | Human | Prostanoid | A | pKi | 9.0 | 9.15 | 9.3 | Guide to Pharmacology |
DP1 | PD2R | Rat | Prostanoid | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |