chenodeoxycholic acid
SMILES | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C |
InChIKey | RUDATBOHQWOJDD-BSWAIDMHSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 392.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Endogenous |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
FPR1 | FPR1 | Human | Formylpeptide | A | pKi | 4.0 | 4.0 | 4.0 | Guide to Pharmacology |
FPR1 | FPR1 | Human | Formylpeptide | A | pKi | 8.4 | 8.4 | 8.4 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 8.27 | 8.27 | 8.27 | Drug Central |
GPBA | GPBAR | Human | Bile acid | A | pEC50 | 4.48 | 4.89 | 5.21 | ChEMBL |