misoprostol (free acid form)
SMILES | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C |
InChIKey | CNWGPXZGIIOYDL-MKYGPDKMSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 368.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.11 | 8.11 | 8.11 | Guide to Pharmacology |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 5.1 | 5.2 | 5.7 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.1 | 8.32 | 9.38 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKd | 9.9 | 9.9 | 9.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 7.7 | 7.73 | 7.77 | ChEMBL |